3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide

C14H22N4O2S — CID 27377329

IUPAC3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1csc(NC(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H22N4O2S/c1-15-12(19)8-7-11-9-21-14(17-11)18-13(20)16-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,15,19)(H2,16,17,18,20)
InChIKeyKCVVGRSGIWVQDX-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.28
Rot. Bonds5

About 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide

3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide (PubChem CID 27377329) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide
PubChem CID27377329
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1csc(NC(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H22N4O2S/c1-15-12(19)8-7-11-9-21-14(17-11)18-13(20)16-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,15,19)(H2,16,17,18,20)
InChIKeyKCVVGRSGIWVQDX-UHFFFAOYSA-N
XLogP2.28
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 32864406
1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-N,N-dimethyl-4-azepanamine
CID 56905662
(3S)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-N,N-dimethylazepan-3-amine
CID 70778764
N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide
CID 95828294
N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
CID 95828345
N-(4-(2-(cyclohexylamino)-2-oxoethyl)thiazol-2-yl)pivalamide
CID 18568228
3-{2-[(cyclohexylcarbamoyl)amino]-1,3-thiazol-4-yl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 27377337
N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(2-(3-cyclohexylureido)thiazol-4-yl)propanamide
CID 27377343
3-(2-(3-cyclohexylureido)thiazol-4-yl)-N-(thiazol-2-yl)propanamide
CID 27454237
1-Cyclohexyl-3-{4-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-thiazol-2-yl}urea
CID 27454274
3-{2-[(cyclohexylcarbamoyl)amino]-1,3-thiazol-4-yl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 27454367
2-(2-acetamidothiazol-4-yl)-N-(cyclohexylmethyl)acetamide
CID 44016029

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide?
The IUPAC name of 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide (CID 27377329) is 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide?
The canonical SMILES for 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide is CNC(=O)CCc1csc(NC(=O)NC2CCCCC2)n1.
What is the InChIKey of 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide?
The InChIKey is KCVVGRSGIWVQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-15-12(19)8-7-11-9-21-14(17-11)18-13(20)16-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,15,19)(H2,16,17,18,20).
What are the key properties of 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide?
3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide has a molecular weight of 310.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-methylpropanamide is sourced from PubChem (CID 27377329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).