(3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone

C48H46Cl2F2N14O5S2 — CID 157465253

About (3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone

(3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone (PubChem CID 157465253) has the molecular formula C48H46Cl2F2N14O5S2 and a molecular weight of 1072.02 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone
• PubChem CID: 157465253
• Molecular Formula: C48H46Cl2F2N14O5S2
• Molecular Weight: 1072.02 g/mol
• Exact Mass: 1070.26
• IUPAC Name: (3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone
• SMILES: COCn1ccsc1=Nc1cc(-c2noc(C)n2)cc(CN2CCN(C(=O)c3cccc(Cl)c3F)CC2)n1.Cc1nc(-c2cc(CN3CCN(C(=O)c4cccc(Cl)c4F)CC3)nc(Nc3nccs3)c2)no1
• InChI: InChI=1S/C25H25ClFN7O3S.C23H21ClFN7O2S/c1-16-28-23(31-37-16)17-12-18(29-21(13-17)30-25-34(15-36-2)10-11-38-25)14-32-6-8-33(9-7-32)24(35)19-4-3-5-20(26)22(19)27;1-14-27-21(30-34-14)15-11-16(28-19(12-15)29-23-26-5-10-35-23)13-31-6-8-32(9-7-31)22(33)17-3-2-4-18(24)20(17)25/h3-5,10-13H,6-9,14-15H2,1-2H3;2-5,10-12H,6-9,13H2,1H3,(H,26,28,29)
• InChIKey: BUJYQHATDKGBJR-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 202.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1072.02
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone?

The IUPAC name of (3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone (CID 157465253) is (3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone.

What is the SMILES notation for (3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone?

The canonical SMILES for (3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone is COCn1ccsc1=Nc1cc(-c2noc(C)n2)cc(CN2CCN(C(=O)c3cccc(Cl)c3F)CC2)n1.Cc1nc(-c2cc(CN3CCN(C(=O)c4cccc(Cl)c4F)CC3)nc(Nc3nccs3)c2)no1.

What is the InChIKey of (3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone?

The InChIKey is BUJYQHATDKGBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN7O3S.C23H21ClFN7O2S/c1-16-28-23(31-37-16)17-12-18(29-21(13-17)30-25-34(15-36-2)10-11-38-25)14-32-6-8-33(9-7-32)24(35)19-4-3-5-20(26)22(19)27;1-14-27-21(30-34-14)15-11-16(28-19(12-15)29-23-26-5-10-35-23)13-31-6-8-32(9-7-31)22(33)17-3-2-4-18(24)20(17)25/h3-5,10-13H,6-9,14-15H2,1-2H3;2-5,10-12H,6-9,13H2,1H3,(H,26,28,29).

What are the key properties of (3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone?

(3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone has a molecular weight of 1072.02 g/mol, XLogP of 8.28, 13 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chloro-2-fluorophenyl)-[4-[[6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;(3-chloro-2-fluorophenyl)-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 157465253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).