N-benzhydrylthiadiazol-5-amine

C15H13N3S — CID 107649564

IUPACN-benzhydrylthiadiazol-5-amine
SMILESc1ccc(C(Nc2cnns2)c2ccccc2)cc1
InChIInChI=1S/C15H13N3S/c1-3-7-12(8-4-1)15(13-9-5-2-6-10-13)17-14-11-16-18-19-14/h1-11,15,17H
InChIKeyVTUWOZCACIFHBG-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.74
Rot. Bonds4

About N-benzhydrylthiadiazol-5-amine

N-benzhydrylthiadiazol-5-amine (PubChem CID 107649564) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-benzhydrylthiadiazol-5-amine.

Molecular Properties

Compound NameN-benzhydrylthiadiazol-5-amine
PubChem CID107649564
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-benzhydrylthiadiazol-5-amine
SMILESc1ccc(C(Nc2cnns2)c2ccccc2)cc1
InChIInChI=1S/C15H13N3S/c1-3-7-12(8-4-1)15(13-9-5-2-6-10-13)17-14-11-16-18-19-14/h1-11,15,17H
InChIKeyVTUWOZCACIFHBG-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl(phenyl)methyl]thiadiazol-5-amine
CID 107649690
3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile
CID 107649329
N-butan-2-ylthiadiazol-5-amine
CID 107649744
1-phenyl-3-(thiadiazol-5-yl)urea;sulfane
CID 90028590
N-(2-methylpentan-3-yl)thiadiazol-5-amine
CID 107649680
N-benzhydryl-5-bromopyrimidin-2-amine
CID 63874353
N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870
N-benzhydryl-5-methylpyridin-2-amine
CID 43344292
N-pyridin-3-ylthiadiazol-5-amine
CID 12638188
N-pyridin-4-ylthiadiazol-5-amine
CID 12638189
2-N-benzhydrylpyrazine-2,6-diamine
CID 78988884
N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
CID 95234713

Frequently Asked Questions

What is the IUPAC name of N-benzhydrylthiadiazol-5-amine?
The IUPAC name of N-benzhydrylthiadiazol-5-amine (CID 107649564) is N-benzhydrylthiadiazol-5-amine.
What is the SMILES notation for N-benzhydrylthiadiazol-5-amine?
The canonical SMILES for N-benzhydrylthiadiazol-5-amine is c1ccc(C(Nc2cnns2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydrylthiadiazol-5-amine?
The InChIKey is VTUWOZCACIFHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-3-7-12(8-4-1)15(13-9-5-2-6-10-13)17-14-11-16-18-19-14/h1-11,15,17H.
What are the key properties of N-benzhydrylthiadiazol-5-amine?
N-benzhydrylthiadiazol-5-amine has a molecular weight of 267.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylthiadiazol-5-amine is sourced from PubChem (CID 107649564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).