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

C11H17N3OS — CID 62787757

IUPAC2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC1(NC(=O)c2csc(N)n2)CCCCC1
InChIInChI=1S/C11H17N3OS/c1-11(5-3-2-4-6-11)14-9(15)8-7-16-10(12)13-8/h7H,2-6H2,1H3,(H2,12,13)(H,14,15)
InChIKeyMTRDFKZHGIMENL-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.18
Rot. Bonds2

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

2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 62787757) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID62787757
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC1(NC(=O)c2csc(N)n2)CCCCC1
InChIInChI=1S/C11H17N3OS/c1-11(5-3-2-4-6-11)14-9(15)8-7-16-10(12)13-8/h7H,2-6H2,1H3,(H2,12,13)(H,14,15)
InChIKeyMTRDFKZHGIMENL-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 66389528
2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid
CID 64686290
6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide
CID 62240010
2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 115739557
2-amino-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 65106580
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
ethyl 4-[(1-methylcyclopropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698267
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427982
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62787414
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
6-hydrazinyl-N-(1-methylcyclopentyl)pyridine-2-carboxamide
CID 64688699
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide (CID 62787757) is 2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide is CC1(NC(=O)c2csc(N)n2)CCCCC1.
What is the InChIKey of 2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MTRDFKZHGIMENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(5-3-2-4-6-11)14-9(15)8-7-16-10(12)13-8/h7H,2-6H2,1H3,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).