methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate

C16H14N2O4S2 — CID 42945684

IUPACmethyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)c1csc(-c2ccco2)n1)c1cccs1
InChIInChI=1S/C16H14N2O4S2/c1-21-14(19)8-10(13-5-3-7-23-13)17-15(20)11-9-24-16(18-11)12-4-2-6-22-12/h2-7,9-10H,8H2,1H3,(H,17,20)
InChIKeyRNZWKGFYMZRKAV-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.50
Rot. Bonds6

About methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate

methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate (PubChem CID 42945684) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
PubChem CID42945684
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC Namemethyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)c1csc(-c2ccco2)n1)c1cccs1
InChIInChI=1S/C16H14N2O4S2/c1-21-14(19)8-10(13-5-3-7-23-13)17-15(20)11-9-24-16(18-11)12-4-2-6-22-12/h2-7,9-10H,8H2,1H3,(H,17,20)
InChIKeyRNZWKGFYMZRKAV-UHFFFAOYSA-N
XLogP3.50
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate with MolForge

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Related Compounds

N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 106686047
4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81064620
methyl 3-(2-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 42920363
methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate
CID 60766057
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
methyl 4-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoate
CID 38021103
methyl 3-[(1-benzyltriazole-4-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 134033627
2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 55748162
methyl 3-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 46515237
methyl 3-[(5-bromofuran-2-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 46515294

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate (CID 42945684) is methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NC(=O)c1csc(-c2ccco2)n1)c1cccs1.
What is the InChIKey of methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate?
The InChIKey is RNZWKGFYMZRKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c1-21-14(19)8-10(13-5-3-7-23-13)17-15(20)11-9-24-16(18-11)12-4-2-6-22-12/h2-7,9-10H,8H2,1H3,(H,17,20).
What are the key properties of methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate?
methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate has a molecular weight of 362.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 42945684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).