2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid

C10H14N2O3S2 — CID 81223615

IUPAC2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESCc1csc(NC(=O)CSC(C)(C)C(=O)O)n1
InChIInChI=1S/C10H14N2O3S2/c1-6-4-16-9(11-6)12-7(13)5-17-10(2,3)8(14)15/h4H,5H2,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyYEYLDKWSWCWPBG-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.99
Rot. Bonds5

About 2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid

2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 81223615) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
PubChem CID81223615
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESCc1csc(NC(=O)CSC(C)(C)C(=O)O)n1
InChIInChI=1S/C10H14N2O3S2/c1-6-4-16-9(11-6)12-7(13)5-17-10(2,3)8(14)15/h4H,5H2,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyYEYLDKWSWCWPBG-UHFFFAOYSA-N
XLogP1.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-methyl-3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 106442737
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 66224014
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16615164
2-[ethyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123515
2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43619432
2-[tert-butyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269282
2-(1-aminopropan-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 66219365
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71986429
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4908224
2-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2995110
3,3-dimethyl-N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide
CID 19629334
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of 2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid (CID 81223615) is 2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid is Cc1csc(NC(=O)CSC(C)(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is YEYLDKWSWCWPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-6-4-16-9(11-6)12-7(13)5-17-10(2,3)8(14)15/h4H,5H2,1-3H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 274.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 81223615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).