N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide

C16H19N3OS — CID 126787255

IUPACN-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(CC1CCCCC1)c1ccccn1
InChIInChI=1S/C16H19N3OS/c20-16(14-11-21-12-18-14)19(15-8-4-5-9-17-15)10-13-6-2-1-3-7-13/h4-5,8-9,11-13H,1-3,6-7,10H2
InChIKeyRPOSQWNMKOYQMB-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.77
Rot. Bonds4

About N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide

N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 126787255) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID126787255
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(CC1CCCCC1)c1ccccn1
InChIInChI=1S/C16H19N3OS/c20-16(14-11-21-12-18-14)19(15-8-4-5-9-17-15)10-13-6-2-1-3-7-13/h4-5,8-9,11-13H,1-3,6-7,10H2
InChIKeyRPOSQWNMKOYQMB-UHFFFAOYSA-N
XLogP3.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 126787255) is N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide is O=C(c1cscn1)N(CC1CCCCC1)c1ccccn1.
What is the InChIKey of N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RPOSQWNMKOYQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(14-11-21-12-18-14)19(15-8-4-5-9-17-15)10-13-6-2-1-3-7-13/h4-5,8-9,11-13H,1-3,6-7,10H2.
What are the key properties of N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126787255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).