2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide

C18H30N2OS — CID 58475112

IUPAC2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCCCC2C(C)CC(C)C)s1
InChIInChI=1S/C18H30N2OS/c1-11(2)10-12(3)15-8-6-7-9-16(15)20-18(21)17-13(4)19-14(5)22-17/h11-12,15-16H,6-10H2,1-5H3,(H,20,21)
InChIKeyVORMCHUAUGKLIB-UHFFFAOYSA-N
MW322.52 g/mol
LogP4.73
Rot. Bonds5

About 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide (PubChem CID 58475112) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
PubChem CID58475112
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC Name2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCCCC2C(C)CC(C)C)s1
InChIInChI=1S/C18H30N2OS/c1-11(2)10-12(3)15-8-6-7-9-16(15)20-18(21)17-13(4)19-14(5)22-17/h11-12,15-16H,6-10H2,1-5H3,(H,20,21)
InChIKeyVORMCHUAUGKLIB-UHFFFAOYSA-N
XLogP4.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide (CID 58475112) is 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCCCC2C(C)CC(C)C)s1.
What is the InChIKey of 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VORMCHUAUGKLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-11(2)10-12(3)15-8-6-7-9-16(15)20-18(21)17-13(4)19-14(5)22-17/h11-12,15-16H,6-10H2,1-5H3,(H,20,21).
What are the key properties of 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide has a molecular weight of 322.52 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58475112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).