N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide

C16H19N3OS — CID 126803646

IUPACN-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1ncc(C2CCCCC2)s1
InChIInChI=1S/C16H19N3OS/c20-15(9-12-5-4-8-17-10-12)19-16-18-11-14(21-16)13-6-2-1-3-7-13/h4-5,8,10-11,13H,1-3,6-7,9H2,(H,18,19,20)
InChIKeyHDOHOSZDIVNIAM-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.77
Rot. Bonds4

About N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide

N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide (PubChem CID 126803646) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide
PubChem CID126803646
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1ncc(C2CCCCC2)s1
InChIInChI=1S/C16H19N3OS/c20-15(9-12-5-4-8-17-10-12)19-16-18-11-14(21-16)13-6-2-1-3-7-13/h4-5,8,10-11,13H,1-3,6-7,9H2,(H,18,19,20)
InChIKeyHDOHOSZDIVNIAM-UHFFFAOYSA-N
XLogP3.77
TPSA54.88 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 139460837
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 134384658
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
CID 62690565
2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide
CID 87519208
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 11383851
N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
CID 55169173
1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one
CID 103457420
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide
CID 120998273
4-amino-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 138524929
N-(5-cyclohexyl-1,3-thiazol-2-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 155186238
N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 144630713
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide (CID 126803646) is N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)Nc1ncc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide?
The InChIKey is HDOHOSZDIVNIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-15(9-12-5-4-8-17-10-12)19-16-18-11-14(21-16)13-6-2-1-3-7-13/h4-5,8,10-11,13H,1-3,6-7,9H2,(H,18,19,20).
What are the key properties of N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide?
N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide has a molecular weight of 301.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 126803646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).