methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C11H12N4O3S2 — CID 62733826

IUPACmethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCc1nnsc1C(=O)Nc1nc(CC(=O)OC)cs1
InChIInChI=1S/C11H12N4O3S2/c1-3-7-9(20-15-14-7)10(17)13-11-12-6(5-19-11)4-8(16)18-2/h5H,3-4H2,1-2H3,(H,12,13,17)
InChIKeyIILHOJGGDJAAJK-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.52
Rot. Bonds5

About methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 62733826) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID62733826
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC Namemethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCc1nnsc1C(=O)Nc1nc(CC(=O)OC)cs1
InChIInChI=1S/C11H12N4O3S2/c1-3-7-9(20-15-14-7)10(17)13-11-12-6(5-19-11)4-8(16)18-2/h5H,3-4H2,1-2H3,(H,12,13,17)
InChIKeyIILHOJGGDJAAJK-UHFFFAOYSA-N
XLogP1.52
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate 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

4-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 35936393
methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43623062
methyl 2-[2-[(3-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 47284512
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 107725368
methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 78798579
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
methyl 2-[2-[3-(4-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 38987123
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
methyl 2-[2-[(1-methylimidazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 113264976
methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 62733826) is methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCc1nnsc1C(=O)Nc1nc(CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is IILHOJGGDJAAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c1-3-7-9(20-15-14-7)10(17)13-11-12-6(5-19-11)4-8(16)18-2/h5H,3-4H2,1-2H3,(H,12,13,17).
What are the key properties of methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 312.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 62733826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).