2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C14H14N4O2S2 — CID 7151137

IUPAC2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2nccn2Cc2ccco2)n1
InChIInChI=1S/C14H14N4O2S2/c1-10-8-21-13(16-10)17-12(19)9-22-14-15-4-5-18(14)7-11-3-2-6-20-11/h2-6,8H,7,9H2,1H3,(H,16,17,19)
InChIKeyIEIRZUJPPGMLAC-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.02
Rot. Bonds6

About 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 7151137) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID7151137
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2nccn2Cc2ccco2)n1
InChIInChI=1S/C14H14N4O2S2/c1-10-8-21-13(16-10)17-12(19)9-22-14-15-4-5-18(14)7-11-3-2-6-20-11/h2-6,8H,7,9H2,1H3,(H,16,17,19)
InChIKeyIEIRZUJPPGMLAC-UHFFFAOYSA-N
XLogP3.02
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(furan-2-ylmethyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 4884297
1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 5094501
2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 7151104
N-(4,5-Dimethyl-thiazol-2-yl)-2-(4-ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 649166
N-[(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 5767539
N-Furan-2-ylmethyl-N'-thiazol-2-yl-oxalamide
CID 1978650
N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
CID 697312
N-(4-tert-Butyl-thiazol-2-yl)-2-[1-furan-2-ylmethyl-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 1451092
2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 2212730
N-(tert-Butylcarbamoyl-methyl)-N-furan-2-ylmethyl-N'-thiazol-2-yl-succinamide
CID 3205533
N-[(1,1-Dimethyl-propylcarbamoyl)-methyl]-N-furan-2-ylmethyl-N'-thiazol-2-yl-succinamide
CID 3205580
N-[1-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)-2-(2-thienyl)vinyl]-2-furamide
CID 5731976

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 7151137) is 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CSc2nccn2Cc2ccco2)n1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IEIRZUJPPGMLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-10-8-21-13(16-10)17-12(19)9-22-14-15-4-5-18(14)7-11-3-2-6-20-11/h2-6,8H,7,9H2,1H3,(H,16,17,19).
What are the key properties of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 334.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7151137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).