N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide

C15H22N2OS — CID 110388410

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(CCC(=O)NCCC2=CCCCC2)n1
InChIInChI=1S/C15H22N2OS/c1-12-11-19-15(17-12)8-7-14(18)16-10-9-13-5-3-2-4-6-13/h5,11H,2-4,6-10H2,1H3,(H,16,18)
InChIKeyCRASSWOKCBKNQD-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 110388410) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID110388410
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(CCC(=O)NCCC2=CCCCC2)n1
InChIInChI=1S/C15H22N2OS/c1-12-11-19-15(17-12)8-7-14(18)16-10-9-13-5-3-2-4-6-13/h5,11H,2-4,6-10H2,1H3,(H,16,18)
InChIKeyCRASSWOKCBKNQD-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110739218
2-[2-[[2-(cyclohexen-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373690
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471
N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329851
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
CID 27376845

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 110388410) is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(CCC(=O)NCCC2=CCCCC2)n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is CRASSWOKCBKNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-11-19-15(17-12)8-7-14(18)16-10-9-13-5-3-2-4-6-13/h5,11H,2-4,6-10H2,1H3,(H,16,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 278.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110388410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).