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

C17H27N3O2S — CID 24718597

IUPACN-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
SMILESCc1csc(NC(=O)CN(C(=O)CC(C)C)C2CCCCC2)n1
InChIInChI=1S/C17H27N3O2S/c1-12(2)9-16(22)20(14-7-5-4-6-8-14)10-15(21)19-17-18-13(3)11-23-17/h11-12,14H,4-10H2,1-3H3,(H,18,19,21)
InChIKeyVQUNLLACXBKKLT-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.60
Rot. Bonds6

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

N-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide (PubChem CID 24718597) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
PubChem CID24718597
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
SMILESCc1csc(NC(=O)CN(C(=O)CC(C)C)C2CCCCC2)n1
InChIInChI=1S/C17H27N3O2S/c1-12(2)9-16(22)20(14-7-5-4-6-8-14)10-15(21)19-17-18-13(3)11-23-17/h11-12,14H,4-10H2,1-3H3,(H,18,19,21)
InChIKeyVQUNLLACXBKKLT-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide?
The IUPAC name of N-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide (CID 24718597) is N-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide?
The canonical SMILES for N-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide is Cc1csc(NC(=O)CN(C(=O)CC(C)C)C2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide?
The InChIKey is VQUNLLACXBKKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-12(2)9-16(22)20(14-7-5-4-6-8-14)10-15(21)19-17-18-13(3)11-23-17/h11-12,14H,4-10H2,1-3H3,(H,18,19,21).
What are the key properties of N-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide?
N-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide has a molecular weight of 337.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 24718597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).