4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide

C15H26N4OS — CID 116671252

IUPAC4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NC2CCCCC2(C)C)s1
InChIInChI=1S/C15H26N4OS/c1-5-19(4)14-18-12(16)11(21-14)13(20)17-10-8-6-7-9-15(10,2)3/h10H,5-9,16H2,1-4H3,(H,17,20)
InChIKeyQLCFCTVXMLTZOE-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.88
Rot. Bonds4

About 4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide

4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116671252) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116671252
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NC2CCCCC2(C)C)s1
InChIInChI=1S/C15H26N4OS/c1-5-19(4)14-18-12(16)11(21-14)13(20)17-10-8-6-7-9-15(10,2)3/h10H,5-9,16H2,1-4H3,(H,17,20)
InChIKeyQLCFCTVXMLTZOE-UHFFFAOYSA-N
XLogP2.88
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide (CID 116671252) is 4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide is CCN(C)c1nc(N)c(C(=O)NC2CCCCC2(C)C)s1.
What is the InChIKey of 4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is QLCFCTVXMLTZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-5-19(4)14-18-12(16)11(21-14)13(20)17-10-8-6-7-9-15(10,2)3/h10H,5-9,16H2,1-4H3,(H,17,20).
What are the key properties of 4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).