N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C14H16N4OS3 — CID 46531297

IUPACN-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(CSc2nnc(NCc3ccco3)s2)cs1
InChIInChI=1S/C14H16N4OS3/c1-2-4-12-16-10(8-20-12)9-21-14-18-17-13(22-14)15-7-11-5-3-6-19-11/h3,5-6,8H,2,4,7,9H2,1H3,(H,15,17)
InChIKeyFHONZWXTSCEUEQ-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.44
Rot. Bonds8

About N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 46531297) has the molecular formula C14H16N4OS3 and a molecular weight of 352.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID46531297
Molecular FormulaC14H16N4OS3
Molecular Weight352.51 g/mol
Exact Mass352.05
IUPAC NameN-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(CSc2nnc(NCc3ccco3)s2)cs1
InChIInChI=1S/C14H16N4OS3/c1-2-4-12-16-10(8-20-12)9-21-14-18-17-13(22-14)15-7-11-5-3-6-19-11/h3,5-6,8H,2,4,7,9H2,1H3,(H,15,17)
InChIKeyFHONZWXTSCEUEQ-UHFFFAOYSA-N
XLogP4.44
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(furan-2-ylmethyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 26027980
5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 36808968
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 30011608
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 51210270
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879521
N-(furan-2-ylmethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18142504
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 18269339
N-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 55631222
N-(furan-2-ylmethyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 26027813
5-benzhydrylsulfanyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 26027408
methyl 3-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
CID 51289568
N-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 26027276

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 46531297) is N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCCc1nc(CSc2nnc(NCc3ccco3)s2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FHONZWXTSCEUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS3/c1-2-4-12-16-10(8-20-12)9-21-14-18-17-13(22-14)15-7-11-5-3-6-19-11/h3,5-6,8H,2,4,7,9H2,1H3,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 352.51 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 46531297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).