1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide

C13H19N3OS2 — CID 79635302

IUPAC1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC(Sc2nccs2)C1
InChIInChI=1S/C13H19N3OS2/c14-11(17)13(16-9-3-4-9)5-1-2-10(8-13)19-12-15-6-7-18-12/h6-7,9-10,16H,1-5,8H2,(H2,14,17)
InChIKeyJQNYNJXEBQXDNL-UHFFFAOYSA-N
MW297.45 g/mol
LogP2.15
Rot. Bonds5

About 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide

1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide (PubChem CID 79635302) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide
PubChem CID79635302
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC(Sc2nccs2)C1
InChIInChI=1S/C13H19N3OS2/c14-11(17)13(16-9-3-4-9)5-1-2-10(8-13)19-12-15-6-7-18-12/h6-7,9-10,16H,1-5,8H2,(H2,14,17)
InChIKeyJQNYNJXEBQXDNL-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate
CID 79654258
1-(propylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79654184
1-(cyclopropylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 79635859
ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate
CID 79653635
1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 115383582
1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
CID 79635887
1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
CID 106925476
1-(cyclopropylamino)cyclooctane-1-carboxamide
CID 60795922
1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
CID 79635325
1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide
CID 79654622
1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide
CID 79635892
1-(cyclopropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 115383599

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide (CID 79635302) is 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide is NC(=O)C1(NC2CC2)CCCC(Sc2nccs2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide?
The InChIKey is JQNYNJXEBQXDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c14-11(17)13(16-9-3-4-9)5-1-2-10(8-13)19-12-15-6-7-18-12/h6-7,9-10,16H,1-5,8H2,(H2,14,17).
What are the key properties of 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide?
1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide has a molecular weight of 297.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79635302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).