[4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone

C19H17Cl2N5OS — CID 90509886

IUPAC[4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(Nc2ccccn2)n1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H17Cl2N5OS/c20-14-5-4-13(11-15(14)21)25-7-9-26(10-8-25)18(27)16-12-28-19(23-16)24-17-3-1-2-6-22-17/h1-6,11-12H,7-10H2,(H,22,23,24)
InChIKeyBMGMGBGUSIATOI-UHFFFAOYSA-N
MW434.35 g/mol
LogP4.55
Rot. Bonds4

About [4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone

[4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 90509886) has the molecular formula C19H17Cl2N5OS and a molecular weight of 434.35 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
PubChem CID90509886
Molecular FormulaC19H17Cl2N5OS
Molecular Weight434.35 g/mol
Exact Mass433.05
IUPAC Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(Nc2ccccn2)n1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H17Cl2N5OS/c20-14-5-4-13(11-15(14)21)25-7-9-26(10-8-25)18(27)16-12-28-19(23-16)24-17-3-1-2-6-22-17/h1-6,11-12H,7-10H2,(H,22,23,24)
InChIKeyBMGMGBGUSIATOI-UHFFFAOYSA-N
XLogP4.55
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509751
1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 90509743
4-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 90509889
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509872
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 166210293
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90509959
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90510093
1-[4-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 23969396
[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 4222905
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone
CID 16955185
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone (CID 90509886) is [4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone is O=C(c1csc(Nc2ccccn2)n1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is BMGMGBGUSIATOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5OS/c20-14-5-4-13(11-15(14)21)25-7-9-26(10-8-25)18(27)16-12-28-19(23-16)24-17-3-1-2-6-22-17/h1-6,11-12H,7-10H2,(H,22,23,24).
What are the key properties of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone?
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 434.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 90509886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).