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

C16H27N3OS2 — CID 3861951

IUPAC2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide
SMILESCSCCC(N)c1nc(C(=O)NC(C)C2CCCCC2)cs1
InChIInChI=1S/C16H27N3OS2/c1-11(12-6-4-3-5-7-12)18-15(20)14-10-22-16(19-14)13(17)8-9-21-2/h10-13H,3-9,17H2,1-2H3,(H,18,20)
InChIKeyKVRKHFHUQZWKPY-UHFFFAOYSA-N
MW341.55 g/mol
LogP3.59
Rot. Bonds7

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

2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 3861951) has the molecular formula C16H27N3OS2 and a molecular weight of 341.55 g/mol. Its IUPAC name is 2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide
PubChem CID3861951
Molecular FormulaC16H27N3OS2
Molecular Weight341.55 g/mol
Exact Mass341.16
IUPAC Name2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide
SMILESCSCCC(N)c1nc(C(=O)NC(C)C2CCCCC2)cs1
InChIInChI=1S/C16H27N3OS2/c1-11(12-6-4-3-5-7-12)18-15(20)14-10-22-16(19-14)13(17)8-9-21-2/h10-13H,3-9,17H2,1-2H3,(H,18,20)
InChIKeyKVRKHFHUQZWKPY-UHFFFAOYSA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.55
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
CID 66379851
2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 3863772
N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119590933
2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide
CID 3849663
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutanamide
CID 104908828
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81393379
(2S)-2-amino-N-[(1S)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81391661
2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4680245
2-(1-amino-3-methylsulfanylpropyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3852970
2-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740091
2-(1-amino-3-methylsulfanylpropyl)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4597088
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide (CID 3861951) is 2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide is CSCCC(N)c1nc(C(=O)NC(C)C2CCCCC2)cs1.
What is the InChIKey of 2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KVRKHFHUQZWKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS2/c1-11(12-6-4-3-5-7-12)18-15(20)14-10-22-16(19-14)13(17)8-9-21-2/h10-13H,3-9,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide?
2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 341.55 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3861951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).