propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate

C14H22N2O3S2 — CID 74224944

IUPACpropan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate
SMILESCSCCC(NC(=O)c1sc(C)nc1C)C(=O)OC(C)C
InChIInChI=1S/C14H22N2O3S2/c1-8(2)19-14(18)11(6-7-20-5)16-13(17)12-9(3)15-10(4)21-12/h8,11H,6-7H2,1-5H3,(H,16,17)
InChIKeyXENLEJIPEHUCHZ-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.56
Rot. Bonds7

About propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate

propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate (PubChem CID 74224944) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate
PubChem CID74224944
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Namepropan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate
SMILESCSCCC(NC(=O)c1sc(C)nc1C)C(=O)OC(C)C
InChIInChI=1S/C14H22N2O3S2/c1-8(2)19-14(18)11(6-7-20-5)16-13(17)12-9(3)15-10(4)21-12/h8,11H,6-7H2,1-5H3,(H,16,17)
InChIKeyXENLEJIPEHUCHZ-UHFFFAOYSA-N
XLogP2.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 43630699
N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120506203
propan-2-yl 2-[(4-methoxythiophene-3-carbonyl)amino]-4-methylsulfanylbutanoate
CID 3288090
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methoxypropanoic acid
CID 81076692
propan-2-yl 4-methylsulfanyl-2-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]butanoate
CID 3670358
propan-2-yl (2R)-2-[(3,5-dinitrobenzoyl)amino]-4-methylsulfanylbutanoate
CID 91979303
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
propan-2-yl 4-methylsulfanyl-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoate
CID 3859913
methyl (2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate
CID 103863391
N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119614140
propan-2-yl 4-methylsulfanyl-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]butanoate
CID 3855823

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate?
The IUPAC name of propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate (CID 74224944) is propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate.
What is the SMILES notation for propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate?
The canonical SMILES for propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate is CSCCC(NC(=O)c1sc(C)nc1C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate?
The InChIKey is XENLEJIPEHUCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-8(2)19-14(18)11(6-7-20-5)16-13(17)12-9(3)15-10(4)21-12/h8,11H,6-7H2,1-5H3,(H,16,17).
What are the key properties of propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate?
propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate has a molecular weight of 330.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate is sourced from PubChem (CID 74224944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).