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

C14H9ClN2O3S2 — CID 39725242

IUPACmethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2sc3ccccc3c2Cl)s1
InChIInChI=1S/C14H9ClN2O3S2/c1-20-13(19)9-6-16-14(22-9)17-12(18)11-10(15)7-4-2-3-5-8(7)21-11/h2-6H,1H3,(H,16,17,18)
InChIKeyLGSVSFQFMLBTRP-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.05
Rot. Bonds3

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

methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 39725242) has the molecular formula C14H9ClN2O3S2 and a molecular weight of 352.82 g/mol. Its IUPAC name is methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID39725242
Molecular FormulaC14H9ClN2O3S2
Molecular Weight352.82 g/mol
Exact Mass351.97
IUPAC Namemethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2sc3ccccc3c2Cl)s1
InChIInChI=1S/C14H9ClN2O3S2/c1-20-13(19)9-6-16-14(22-9)17-12(18)11-10(15)7-4-2-3-5-8(7)21-11/h2-6H,1H3,(H,16,17,18)
InChIKeyLGSVSFQFMLBTRP-UHFFFAOYSA-N
XLogP4.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18101566
3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 23791817
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
3-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 980427
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649
dimethyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 3293639
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1220521
methyl 4-bromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 67512563
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172
2-methylpropyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4501714
3-chloro-N-(2-propan-2-ylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
CID 30183448

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 39725242) is methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2sc3ccccc3c2Cl)s1.
What is the InChIKey of methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is LGSVSFQFMLBTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3S2/c1-20-13(19)9-6-16-14(22-9)17-12(18)11-10(15)7-4-2-3-5-8(7)21-11/h2-6H,1H3,(H,16,17,18).
What are the key properties of methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 352.82 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 39725242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).