N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine

C15H15N3OS — CID 133428838

IUPACN-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(Cc2ccccc2)Cc2ccco2)n1
InChIInChI=1S/C15H15N3OS/c1-12-16-15(20-17-12)18(11-14-8-5-9-19-14)10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3
InChIKeyLQXNBCQUVCJQBX-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.65
Rot. Bonds5

About N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133428838) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133428838
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(Cc2ccccc2)Cc2ccco2)n1
InChIInChI=1S/C15H15N3OS/c1-12-16-15(20-17-12)18(11-14-8-5-9-19-14)10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3
InChIKeyLQXNBCQUVCJQBX-UHFFFAOYSA-N
XLogP3.65
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(furan-2-ylmethyl)amino]-N-propan-2-ylpropanamide
CID 3956050
N-[(4-aminophenyl)methyl]-N-ethyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273266
(5R)-N-benzyl-N-(furan-2-ylmethyl)-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 1024029
N-benzyl-N-(furan-2-ylmethyl)-6-propan-2-yloxypyridin-3-amine
CID 42691174
4-[[(6-ethyl-2-methylpyrimidin-4-yl)-(furan-2-ylmethyl)amino]methyl]phenol
CID 133462156
5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947355
N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133430451
N-benzyl-3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(2-phenylethyl)propanamide
CID 3906315
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133429377
N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine
CID 133320829

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 133428838) is N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(N(Cc2ccccc2)Cc2ccco2)n1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is LQXNBCQUVCJQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-12-16-15(20-17-12)18(11-14-8-5-9-19-14)10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 285.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133428838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).