2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid

C14H16N2O3S2 — CID 60832046

IUPAC2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid
SMILESCc1nc(-c2ccsc2)sc1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C14H16N2O3S2/c1-8(2)16(6-11(17)18)14(19)12-9(3)15-13(21-12)10-4-5-20-7-10/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyVGYOWMITCZSVEK-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.12
Rot. Bonds5

About 2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid

2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 60832046) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID60832046
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid
SMILESCc1nc(-c2ccsc2)sc1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C14H16N2O3S2/c1-8(2)16(6-11(17)18)14(19)12-9(3)15-13(21-12)10-4-5-20-7-10/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyVGYOWMITCZSVEK-UHFFFAOYSA-N
XLogP3.12
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-dimethyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46666940
N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115744537
4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 31839852
N-ethyl-4-methyl-N-(2-phenylethyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55587242
N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 51237676
N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55427148
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
2-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 47029764
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660459
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 55427977

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid (CID 60832046) is 2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid is Cc1nc(-c2ccsc2)sc1C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is VGYOWMITCZSVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-8(2)16(6-11(17)18)14(19)12-9(3)15-13(21-12)10-4-5-20-7-10/h4-5,7-8H,6H2,1-3H3,(H,17,18).
What are the key properties of 2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid?
2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 324.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60832046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).