N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide

C17H27N3O2S — CID 4217524

IUPACN-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
SMILESCCCC(=O)N(CC(=O)Nc1nc(C)c(C)s1)C1CCCCC1
InChIInChI=1S/C17H27N3O2S/c1-4-8-16(22)20(14-9-6-5-7-10-14)11-15(21)19-17-18-12(2)13(3)23-17/h14H,4-11H2,1-3H3,(H,18,19,21)
InChIKeyICIRMBCFDFAZGA-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.66
Rot. Bonds6

About N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide

N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide (PubChem CID 4217524) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
PubChem CID4217524
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
SMILESCCCC(=O)N(CC(=O)Nc1nc(C)c(C)s1)C1CCCCC1
InChIInChI=1S/C17H27N3O2S/c1-4-8-16(22)20(14-9-6-5-7-10-14)11-15(21)19-17-18-12(2)13(3)23-17/h14H,4-11H2,1-3H3,(H,18,19,21)
InChIKeyICIRMBCFDFAZGA-UHFFFAOYSA-N
XLogP3.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl-(2-phenylsulfanylacetyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 4229536
6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide
CID 42793787
N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-nitrobenzamide
CID 4068709
N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 5241180
N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide
CID 4584251
N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 3651293
3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4130975
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4052980
N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-hexylbenzamide
CID 5200011
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 4278865
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
CID 3310913

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide?
The IUPAC name of N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide (CID 4217524) is N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide?
The canonical SMILES for N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide is CCCC(=O)N(CC(=O)Nc1nc(C)c(C)s1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide?
The InChIKey is ICIRMBCFDFAZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-8-16(22)20(14-9-6-5-7-10-14)11-15(21)19-17-18-12(2)13(3)23-17/h14H,4-11H2,1-3H3,(H,18,19,21).
What are the key properties of N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide?
N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide has a molecular weight of 337.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 4217524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).