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

C13H21N3OS — CID 55115770

IUPAC2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCC1CCCCC1C
InChIInChI=1S/C13H21N3OS/c1-8-5-3-4-6-10(8)7-15-12(17)11-9(2)16-13(14)18-11/h8,10H,3-7H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyAFLIPRHVHAHINR-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.59
Rot. Bonds3

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

2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 55115770) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID55115770
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCC1CCCCC1C
InChIInChI=1S/C13H21N3OS/c1-8-5-3-4-6-10(8)7-15-12(17)11-9(2)16-13(14)18-11/h8,10H,3-7H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyAFLIPRHVHAHINR-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide (CID 55115770) is 2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NCC1CCCCC1C.
What is the InChIKey of 2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AFLIPRHVHAHINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8-5-3-4-6-10(8)7-15-12(17)11-9(2)16-13(14)18-11/h8,10H,3-7H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55115770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).