3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C14H22N4O2S — CID 16622526

IUPAC3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCNC(=O)NC2CCCCC2)s1
InChIInChI=1S/C14H22N4O2S/c1-10-9-16-14(21-10)18-12(19)7-8-15-13(20)17-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,15,17,20)(H,16,18,19)
InChIKeySYUHAPSDZIITAG-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.41
Rot. Bonds5

About 3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 16622526) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID16622526
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCNC(=O)NC2CCCCC2)s1
InChIInChI=1S/C14H22N4O2S/c1-10-9-16-14(21-10)18-12(19)7-8-15-13(20)17-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,15,17,20)(H,16,18,19)
InChIKeySYUHAPSDZIITAG-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide
CID 16622399
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 24627533
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 813355
N-(1,3-benzothiazol-2-yl)-4-(cyclohexylcarbamoylamino)butanamide
CID 16614965
N-cyclopropyl-2-[(5-methyl-1,3-thiazol-2-yl)amino]acetamide
CID 131107656
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 16622526) is 3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)CCNC(=O)NC2CCCCC2)s1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is SYUHAPSDZIITAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10-9-16-14(21-10)18-12(19)7-8-15-13(20)17-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,15,17,20)(H,16,18,19).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 310.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 16622526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).