3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide

C16H18N2O2S2 — CID 4787835

IUPAC3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)NC(=O)c1oc2ccccc2c1CSC1=NCCS1
InChIInChI=1S/C16H18N2O2S2/c1-10(2)18-15(19)14-12(9-22-16-17-7-8-21-16)11-5-3-4-6-13(11)20-14/h3-6,10H,7-9H2,1-2H3,(H,18,19)
InChIKeySAZUOGCPCJMWEZ-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.91
Rot. Bonds4

About 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide

3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 4787835) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
PubChem CID4787835
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)NC(=O)c1oc2ccccc2c1CSC1=NCCS1
InChIInChI=1S/C16H18N2O2S2/c1-10(2)18-15(19)14-12(9-22-16-17-7-8-21-16)11-5-3-4-6-13(11)20-14/h3-6,10H,7-9H2,1-2H3,(H,18,19)
InChIKeySAZUOGCPCJMWEZ-UHFFFAOYSA-N
XLogP3.91
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide (CID 4787835) is 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide is CC(C)NC(=O)c1oc2ccccc2c1CSC1=NCCS1.
What is the InChIKey of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is SAZUOGCPCJMWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-10(2)18-15(19)14-12(9-22-16-17-7-8-21-16)11-5-3-4-6-13(11)20-14/h3-6,10H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide?
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4787835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).