5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide

C16H14N2O2S2 — CID 2990742

IUPAC5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc(SCc2ccc(C(=O)Nc3nccs3)o2)cc1
InChIInChI=1S/C16H14N2O2S2/c1-11-2-5-13(6-3-11)22-10-12-4-7-14(20-12)15(19)18-16-17-8-9-21-16/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyCDOMQXYSPINNJJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.59
Rot. Bonds5

About 5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide

5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 2990742) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID2990742
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc(SCc2ccc(C(=O)Nc3nccs3)o2)cc1
InChIInChI=1S/C16H14N2O2S2/c1-11-2-5-13(6-3-11)22-10-12-4-7-14(20-12)15(19)18-16-17-8-9-21-16/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyCDOMQXYSPINNJJ-UHFFFAOYSA-N
XLogP4.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 694812
5-bromo-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2121869
5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2440876
5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2967498
5-fluoro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9508654
5-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 726956
N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 774920
5-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1084411
5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1249045
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2536951
N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 746004
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 903361

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide (CID 2990742) is 5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide is Cc1ccc(SCc2ccc(C(=O)Nc3nccs3)o2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is CDOMQXYSPINNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-11-2-5-13(6-3-11)22-10-12-4-7-14(20-12)15(19)18-16-17-8-9-21-16/h2-9H,10H2,1H3,(H,17,18,19).
What are the key properties of 5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfanylmethyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2990742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).