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

C13H21N3OS — CID 54953789

IUPAC1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCc1nc(NC(=O)C2(N)CCCCC2)sc1C
InChIInChI=1S/C13H21N3OS/c1-3-10-9(2)18-12(15-10)16-11(17)13(14)7-5-4-6-8-13/h3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyQQPMGVJENDNVGA-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.61
Rot. Bonds3

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

1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 54953789) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID54953789
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCc1nc(NC(=O)C2(N)CCCCC2)sc1C
InChIInChI=1S/C13H21N3OS/c1-3-10-9(2)18-12(15-10)16-11(17)13(14)7-5-4-6-8-13/h3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyQQPMGVJENDNVGA-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide (CID 54953789) is 1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide is CCc1nc(NC(=O)C2(N)CCCCC2)sc1C.
What is the InChIKey of 1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is QQPMGVJENDNVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-10-9(2)18-12(15-10)16-11(17)13(14)7-5-4-6-8-13/h3-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 54953789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).