2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide

C12H19N3OS — CID 64822507

IUPAC2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1ncsc1CNC(=O)C1CCCCC1N
InChIInChI=1S/C12H19N3OS/c1-8-11(17-7-15-8)6-14-12(16)9-4-2-3-5-10(9)13/h7,9-10H,2-6,13H2,1H3,(H,14,16)
InChIKeyVCLRKEIHMQSBOP-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide

2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 64822507) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
PubChem CID64822507
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1ncsc1CNC(=O)C1CCCCC1N
InChIInChI=1S/C12H19N3OS/c1-8-11(17-7-15-8)6-14-12(16)9-4-2-3-5-10(9)13/h7,9-10H,2-6,13H2,1H3,(H,14,16)
InChIKeyVCLRKEIHMQSBOP-UHFFFAOYSA-N
XLogP1.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119877178
1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761
2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 64822512
2-amino-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 114110923
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 78941991
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 64825025
cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319718
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 63284109
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide (CID 64822507) is 2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide is Cc1ncsc1CNC(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is VCLRKEIHMQSBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-11(17-7-15-8)6-14-12(16)9-4-2-3-5-10(9)13/h7,9-10H,2-6,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64822507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).