(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone

C20H19ClFN5OS — CID 11676373

IUPAC(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1F)N1CCN(Cc2cccc(Nc3nccs3)n2)CC1
InChIInChI=1S/C20H19ClFN5OS/c21-16-5-2-4-15(18(16)22)19(28)27-10-8-26(9-11-27)13-14-3-1-6-17(24-14)25-20-23-7-12-29-20/h1-7,12H,8-11,13H2,(H,23,24,25)
InChIKeyYCRFPWKUUNKNDN-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.03
Rot. Bonds5

About (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone

(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone (PubChem CID 11676373) has the molecular formula C20H19ClFN5OS and a molecular weight of 431.92 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone
PubChem CID11676373
Molecular FormulaC20H19ClFN5OS
Molecular Weight431.92 g/mol
Exact Mass431.10
IUPAC Name(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1F)N1CCN(Cc2cccc(Nc3nccs3)n2)CC1
InChIInChI=1S/C20H19ClFN5OS/c21-16-5-2-4-15(18(16)22)19(28)27-10-8-26(9-11-27)13-14-3-1-6-17(24-14)25-20-23-7-12-29-20/h1-7,12H,8-11,13H2,(H,23,24,25)
InChIKeyYCRFPWKUUNKNDN-UHFFFAOYSA-N
XLogP4.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-[(6-methylpyridin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 21911345
N-(2-chloro-6-methylphenyl)-2-[(4,6-dimethylpyridin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 21911338
(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10743303
(3,4-Dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10813865
N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 21137599
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N-(2-aminoethyl)-5-{2-[(3-chloropyridin-2-yl)amino]-1,3-thiazol-5-yl}nicotinamide
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CID 10402473
(3-fluorophenyl)-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 49862157
(2,3-Dichlorophenyl)(4-(3-(thiazol-2-ylamino)benzyl)piperazin-1-yl)methanone
CID 53320716
4-fluoro-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660431
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CID 3462248

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone (CID 11676373) is (3-chloro-2-fluorophenyl)-[4-[[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-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1F)N1CCN(Cc2cccc(Nc3nccs3)n2)CC1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
The InChIKey is YCRFPWKUUNKNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5OS/c21-16-5-2-4-15(18(16)22)19(28)27-10-8-26(9-11-27)13-14-3-1-6-17(24-14)25-20-23-7-12-29-20/h1-7,12H,8-11,13H2,(H,23,24,25).
What are the key properties of (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone has a molecular weight of 431.92 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 11676373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).