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

C13H21N3OS2 — CID 43117451

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide
SMILESCc1nc(N)sc1SC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H21N3OS2/c1-8-12(19-13(14)15-8)18-9(2)11(17)16-10-6-4-3-5-7-10/h9-10H,3-7H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyQXROSKHJZVQJQE-UHFFFAOYSA-N
MW299.47 g/mol
LogP2.96
Rot. Bonds4

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

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide (PubChem CID 43117451) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide
PubChem CID43117451
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide
SMILESCc1nc(N)sc1SC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H21N3OS2/c1-8-12(19-13(14)15-8)18-9(2)11(17)16-10-6-4-3-5-7-10/h9-10H,3-7H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyQXROSKHJZVQJQE-UHFFFAOYSA-N
XLogP2.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 51928928
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 43117478
(2S)-N-cyclopentyl-2-[[5-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 25442332
(2S)-N-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 40678669
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylpropanamide
CID 43212635
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 43015197
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 43117472
(2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 7415791
N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 112778344
(2R)-N-cyclopentyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 40810925
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211
(2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide
CID 40657072

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide (CID 43117451) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide is Cc1nc(N)sc1SC(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide?
The InChIKey is QXROSKHJZVQJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-8-12(19-13(14)15-8)18-9(2)11(17)16-10-6-4-3-5-7-10/h9-10H,3-7H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide has a molecular weight of 299.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide is sourced from PubChem (CID 43117451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).