N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide

C16H13ClN4OS — CID 44591378

IUPACN-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nscc1NCc1ccncc1
InChIInChI=1S/C16H13ClN4OS/c17-12-1-3-13(4-2-12)20-16(22)15-14(10-23-21-15)19-9-11-5-7-18-8-6-11/h1-8,10,19H,9H2,(H,20,22)
InChIKeyNYEXDGYOBOWOIP-UHFFFAOYSA-N
MW344.83 g/mol
LogP4.06
Rot. Bonds5

About N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide

N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide (PubChem CID 44591378) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide
PubChem CID44591378
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nscc1NCc1ccncc1
InChIInChI=1S/C16H13ClN4OS/c17-12-1-3-13(4-2-12)20-16(22)15-14(10-23-21-15)19-9-11-5-7-18-8-6-11/h1-8,10,19H,9H2,(H,20,22)
InChIKeyNYEXDGYOBOWOIP-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide (CID 44591378) is N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1nscc1NCc1ccncc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide?
The InChIKey is NYEXDGYOBOWOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c17-12-1-3-13(4-2-12)20-16(22)15-14(10-23-21-15)19-9-11-5-7-18-8-6-11/h1-8,10,19H,9H2,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide?
N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide has a molecular weight of 344.83 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 44591378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).