N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine

C12H15N3S — CID 107648590

IUPACN-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCC(Cc1ccccc1)Nc1nncs1
InChIInChI=1S/C12H15N3S/c1-2-11(14-12-15-13-9-16-12)8-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3,(H,14,15)
InChIKeyBHBDILGHWARLGL-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.97
Rot. Bonds5

About N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine

N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648590) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107648590
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCC(Cc1ccccc1)Nc1nncs1
InChIInChI=1S/C12H15N3S/c1-2-11(14-12-15-13-9-16-12)8-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3,(H,14,15)
InChIKeyBHBDILGHWARLGL-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

(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 70531106
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166
3,5-dichloro-N-(1-phenylbutan-2-yl)aniline
CID 79007274
4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
CID 79008661
2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline
CID 79007261
2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
CID 55242376
N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65029172
4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
CID 79007433
N-methoxy-1-phenylbutan-2-amine
CID 82707148
1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one
CID 79007599
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
[3-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007308

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine (CID 107648590) is N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine is CCC(Cc1ccccc1)Nc1nncs1.
What is the InChIKey of N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BHBDILGHWARLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-11(14-12-15-13-9-16-12)8-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3,(H,14,15).
What are the key properties of N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-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-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).