N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine

C10H13N3OS2 — CID 62579170

IUPACN-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESCC(CNCc1ccco1)Sc1nncs1
InChIInChI=1S/C10H13N3OS2/c1-8(16-10-13-12-7-15-10)5-11-6-9-3-2-4-14-9/h2-4,7-8,11H,5-6H2,1H3
InChIKeySLODXRDQKSQYRI-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.40
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine

N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (PubChem CID 62579170) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
PubChem CID62579170
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC NameN-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESCC(CNCc1ccco1)Sc1nncs1
InChIInChI=1S/C10H13N3OS2/c1-8(16-10-13-12-7-15-10)5-11-6-9-3-2-4-14-9/h2-4,7-8,11H,5-6H2,1H3
InChIKeySLODXRDQKSQYRI-UHFFFAOYSA-N
XLogP2.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925818
N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine
CID 107782540
N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62576429
2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62583352
2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62584859
2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62576351
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 63115985
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (CID 62579170) is N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is CC(CNCc1ccco1)Sc1nncs1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is SLODXRDQKSQYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c1-8(16-10-13-12-7-15-10)5-11-6-9-3-2-4-14-9/h2-4,7-8,11H,5-6H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 62579170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).