methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate

C17H17N3O3S2 — CID 48817604

IUPACmethyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N(C)Cc1csc2ccccc12
InChIInChI=1S/C17H17N3O3S2/c1-10-14(16(21)23-3)15(25-19-10)18-17(22)20(2)8-11-9-24-13-7-5-4-6-12(11)13/h4-7,9H,8H2,1-3H3,(H,18,22)
InChIKeyYNQSNSIUXWODDT-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.12
Rot. Bonds4

About methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate

methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 48817604) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID48817604
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Namemethyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N(C)Cc1csc2ccccc12
InChIInChI=1S/C17H17N3O3S2/c1-10-14(16(21)23-3)15(25-19-10)18-17(22)20(2)8-11-9-24-13-7-5-4-6-12(11)13/h4-7,9H,8H2,1-3H3,(H,18,22)
InChIKeyYNQSNSIUXWODDT-UHFFFAOYSA-N
XLogP4.12
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate 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

1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
1-(1-benzothiophen-3-ylmethyl)-1-methyl-3-(1H-pyrazol-4-yl)urea
CID 47071984
methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate
CID 47065534
1-(1-benzothiophen-3-ylmethyl)-1-methyl-3-(2-propylphenyl)urea
CID 112826081
methyl 4-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]benzoate
CID 55703451
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
4-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025091
methyl 5-[[dicyclopropylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 49467869
N-(1-benzothiophen-3-ylmethyl)-1-cyano-N-methylformamide
CID 115172418
4-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 112826095
N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 75414970

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate (CID 48817604) is methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate is COC(=O)c1c(C)nsc1NC(=O)N(C)Cc1csc2ccccc12.
What is the InChIKey of methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is YNQSNSIUXWODDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-10-14(16(21)23-3)15(25-19-10)18-17(22)20(2)8-11-9-24-13-7-5-4-6-12(11)13/h4-7,9H,8H2,1-3H3,(H,18,22).
What are the key properties of methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 375.48 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 48817604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).