methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate

C10H9ClN2O3S2 — CID 70317047

IUPACmethyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate
SMILESCOC(=O)c1nscc1NC(=O)C1CC=C(Cl)S1
InChIInChI=1S/C10H9ClN2O3S2/c1-16-10(15)8-5(4-17-13-8)12-9(14)6-2-3-7(11)18-6/h3-4,6H,2H2,1H3,(H,12,14)
InChIKeyFWZJWYIOPSNECC-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.45
Rot. Bonds3

About methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate

methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate (PubChem CID 70317047) has the molecular formula C10H9ClN2O3S2 and a molecular weight of 304.78 g/mol. Its IUPAC name is methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate
PubChem CID70317047
Molecular FormulaC10H9ClN2O3S2
Molecular Weight304.78 g/mol
Exact Mass303.97
IUPAC Namemethyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate
SMILESCOC(=O)c1nscc1NC(=O)C1CC=C(Cl)S1
InChIInChI=1S/C10H9ClN2O3S2/c1-16-10(15)8-5(4-17-13-8)12-9(14)6-2-3-7(11)18-6/h3-4,6H,2H2,1H3,(H,12,14)
InChIKeyFWZJWYIOPSNECC-UHFFFAOYSA-N
XLogP2.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate?
The IUPAC name of methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate (CID 70317047) is methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate.
What is the SMILES notation for methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate?
The canonical SMILES for methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate is COC(=O)c1nscc1NC(=O)C1CC=C(Cl)S1.
What is the InChIKey of methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate?
The InChIKey is FWZJWYIOPSNECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S2/c1-16-10(15)8-5(4-17-13-8)12-9(14)6-2-3-7(11)18-6/h3-4,6H,2H2,1H3,(H,12,14).
What are the key properties of methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate?
methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate has a molecular weight of 304.78 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-chloro-2,3-dihydrothiophene-2-carbonyl)amino]-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 70317047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).