4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide

C19H22N4O2S — CID 53141279

IUPAC4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
SMILESCC(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H22N4O2S/c1-13(24)22-17-16(15-9-5-6-11-20-15)23-26-18(17)19(25)21-12-10-14-7-3-2-4-8-14/h5-7,9,11H,2-4,8,10,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyYZWKHVXUXXGAKU-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.78
Rot. Bonds6

About 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide

4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide (PubChem CID 53141279) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
PubChem CID53141279
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
SMILESCC(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H22N4O2S/c1-13(24)22-17-16(15-9-5-6-11-20-15)23-26-18(17)19(25)21-12-10-14-7-3-2-4-8-14/h5-7,9,11H,2-4,8,10,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyYZWKHVXUXXGAKU-UHFFFAOYSA-N
XLogP3.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109052433
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide
CID 71809890
N-[(4-methoxyphenyl)methyl]-4-(2-methylpropanoylamino)-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141321
4-(4-bromophenyl)-N-[2-(cyclohexen-1-yl)ethyl]thiadiazole-5-carboxamide
CID 100750432
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109081989
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109299485

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide (CID 53141279) is 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide is CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCCC1=CCCCC1.
What is the InChIKey of 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The InChIKey is YZWKHVXUXXGAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13(24)22-17-16(15-9-5-6-11-20-15)23-26-18(17)19(25)21-12-10-14-7-3-2-4-8-14/h5-7,9,11H,2-4,8,10,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 53141279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).