4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide

C15H24N4O2S — CID 16622522

IUPAC4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(NC(=O)CCCNC(=O)NC2CCCCC2)n1
InChIInChI=1S/C15H24N4O2S/c1-11-10-22-15(17-11)19-13(20)8-5-9-16-14(21)18-12-6-3-2-4-7-12/h10,12H,2-9H2,1H3,(H2,16,18,21)(H,17,19,20)
InChIKeyHZGPVMALLVJZOQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.80
Rot. Bonds6

About 4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide

4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 16622522) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID16622522
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(NC(=O)CCCNC(=O)NC2CCCCC2)n1
InChIInChI=1S/C15H24N4O2S/c1-11-10-22-15(17-11)19-13(20)8-5-9-16-14(21)18-12-6-3-2-4-7-12/h10,12H,2-9H2,1H3,(H2,16,18,21)(H,17,19,20)
InChIKeyHZGPVMALLVJZOQ-UHFFFAOYSA-N
XLogP2.80
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide
CID 29324976
3-(cyclohexylcarbamoylamino)-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propanamide
CID 16622399
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997302
N-(1,3-benzothiazol-2-yl)-4-(cyclohexylcarbamoylamino)butanamide
CID 16614965
N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 60850227
3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16622526
tert-butyl N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 47116057
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 18152915
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 16622522) is 4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1csc(NC(=O)CCCNC(=O)NC2CCCCC2)n1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is HZGPVMALLVJZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11-10-22-15(17-11)19-13(20)8-5-9-16-14(21)18-12-6-3-2-4-7-12/h10,12H,2-9H2,1H3,(H2,16,18,21)(H,17,19,20).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 324.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 16622522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).