N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide

C16H15N3O2S2 — CID 2973100

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(CSc3ccccc3)o2)s1
InChIInChI=1S/C16H15N3O2S2/c1-2-14-18-19-16(23-14)17-15(20)13-9-8-11(21-13)10-22-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,17,19,20)
InChIKeyMTMPERLLLMDHIZ-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.24
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 2973100) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID2973100
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(CSc3ccccc3)o2)s1
InChIInChI=1S/C16H15N3O2S2/c1-2-14-18-19-16(23-14)17-15(20)13-9-8-11(21-13)10-22-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,17,19,20)
InChIKeyMTMPERLLLMDHIZ-UHFFFAOYSA-N
XLogP4.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 17403780
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)furan-2-carboxamide
CID 71690111
2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17321459
(2S)-2-chloro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 28732755
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide
CID 84560916
N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886
4-benzamido-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153411
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 5262182
[4-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl] thiocyanate
CID 2985076
N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 4897775

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide (CID 2973100) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide is CCc1nnc(NC(=O)c2ccc(CSc3ccccc3)o2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is MTMPERLLLMDHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-2-14-18-19-16(23-14)17-15(20)13-9-8-11(21-13)10-22-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,17,19,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 2973100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).