N-(4-phenylbutan-2-yl)thiadiazol-5-amine

C12H15N3S — CID 107649389

IUPACN-(4-phenylbutan-2-yl)thiadiazol-5-amine
SMILESCC(CCc1ccccc1)Nc1cnns1
InChIInChI=1S/C12H15N3S/c1-10(14-12-9-13-15-16-12)7-8-11-5-3-2-4-6-11/h2-6,9-10,14H,7-8H2,1H3
InChIKeyJYINFPFUWWKVNT-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.97
Rot. Bonds5

About N-(4-phenylbutan-2-yl)thiadiazol-5-amine

N-(4-phenylbutan-2-yl)thiadiazol-5-amine (PubChem CID 107649389) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)thiadiazol-5-amine
PubChem CID107649389
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-(4-phenylbutan-2-yl)thiadiazol-5-amine
SMILESCC(CCc1ccccc1)Nc1cnns1
InChIInChI=1S/C12H15N3S/c1-10(14-12-9-13-15-16-12)7-8-11-5-3-2-4-6-11/h2-6,9-10,14H,7-8H2,1H3
InChIKeyJYINFPFUWWKVNT-UHFFFAOYSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylbutan-2-yl)phthalazin-1-amine
CID 60631726
N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine
CID 43540049
N-(4-phenylbutan-2-yl)quinoxalin-2-amine
CID 60716412
4-phenylbutan-2-ylhydrazine
CID 28622
N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704
2-(4-phenylbutan-2-ylamino)benzene-1,3-dicarbonitrile
CID 133498329
3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
CID 43110414
2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline
CID 63453526
N-(1-pyridin-2-ylethyl)thiadiazol-5-amine
CID 107649649
2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
CID 80811958
4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105139842
4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine
CID 43678643

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)thiadiazol-5-amine?
The IUPAC name of N-(4-phenylbutan-2-yl)thiadiazol-5-amine (CID 107649389) is N-(4-phenylbutan-2-yl)thiadiazol-5-amine.
What is the SMILES notation for N-(4-phenylbutan-2-yl)thiadiazol-5-amine?
The canonical SMILES for N-(4-phenylbutan-2-yl)thiadiazol-5-amine is CC(CCc1ccccc1)Nc1cnns1.
What is the InChIKey of N-(4-phenylbutan-2-yl)thiadiazol-5-amine?
The InChIKey is JYINFPFUWWKVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-10(14-12-9-13-15-16-12)7-8-11-5-3-2-4-6-11/h2-6,9-10,14H,7-8H2,1H3.
What are the key properties of N-(4-phenylbutan-2-yl)thiadiazol-5-amine?
N-(4-phenylbutan-2-yl)thiadiazol-5-amine has a molecular weight of 233.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)thiadiazol-5-amine is sourced from PubChem (CID 107649389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).