2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

C19H14ClN5OS — CID 38772567

IUPAC2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)nc1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H14ClN5OS/c20-15-4-2-14(3-5-15)19-24-16(11-27-19)18(26)23-10-13-1-6-17(22-9-13)25-8-7-21-12-25/h1-9,11-12H,10H2,(H,23,26)
InChIKeySWZRZRFXXQBRHK-UHFFFAOYSA-N
MW395.88 g/mol
LogP3.97
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 38772567) has the molecular formula C19H14ClN5OS and a molecular weight of 395.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID38772567
Molecular FormulaC19H14ClN5OS
Molecular Weight395.88 g/mol
Exact Mass395.06
IUPAC Name2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)nc1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H14ClN5OS/c20-15-4-2-14(3-5-15)19-24-16(11-27-19)18(26)23-10-13-1-6-17(22-9-13)25-8-7-21-12-25/h1-9,11-12H,10H2,(H,23,26)
InChIKeySWZRZRFXXQBRHK-UHFFFAOYSA-N
XLogP3.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.88
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-nitrobenzamide
CID 38772476
2-(4-chlorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 47028512
2-(4-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 56552077
N-(pyridin-4-ylmethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145628
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 38772539
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55744365
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-isocyanoacetamide
CID 164823089
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111244562

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 38772567) is 2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(-n2ccnc2)nc1)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SWZRZRFXXQBRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5OS/c20-15-4-2-14(3-5-15)19-24-16(11-27-19)18(26)23-10-13-1-6-17(22-9-13)25-8-7-21-12-25/h1-9,11-12H,10H2,(H,23,26).
What are the key properties of 2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 395.88 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38772567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).