N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide

C13H20N2OS — CID 60507331

IUPACN,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)C1CCCCC1C
InChIInChI=1S/C13H20N2OS/c1-9-6-4-5-7-11(9)15(3)13(16)12-10(2)14-8-17-12/h8-9,11H,4-7H2,1-3H3
InChIKeyMQRGESSAXRXWMH-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.10
Rot. Bonds2

About N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide

N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide (PubChem CID 60507331) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide
PubChem CID60507331
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)C1CCCCC1C
InChIInChI=1S/C13H20N2OS/c1-9-6-4-5-7-11(9)15(3)13(16)12-10(2)14-8-17-12/h8-9,11H,4-7H2,1-3H3
InChIKeyMQRGESSAXRXWMH-UHFFFAOYSA-N
XLogP3.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide (CID 60507331) is N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)C1CCCCC1C.
What is the InChIKey of N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MQRGESSAXRXWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-6-4-5-7-11(9)15(3)13(16)12-10(2)14-8-17-12/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 60507331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).