5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine

C11H13N3S — CID 91425019

IUPAC5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(Cc1ccccc1)c1nnc(N)s1
InChIInChI=1S/C11H13N3S/c1-8(10-13-14-11(12)15-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)
InChIKeyQVJBQVVROUHXSG-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.47
Rot. Bonds3

About 5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine

5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 91425019) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID91425019
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(Cc1ccccc1)c1nnc(N)s1
InChIInChI=1S/C11H13N3S/c1-8(10-13-14-11(12)15-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)
InChIKeyQVJBQVVROUHXSG-UHFFFAOYSA-N
XLogP2.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine
CID 744071
5-[1-(benzylsulfamoylamino)ethyl]-1,3,4-thiadiazol-2-amine
CID 56886319
4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole
CID 21365787
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
ethyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylpropanoate
CID 7245320
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide
CID 124752195
azane;1-phenylpropan-2-amine
CID 67350534
1,4-bis(2-phenylpropyl)benzene
CID 19376086
2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 63945031
ethane;2-methylpropylbenzene
CID 162200929

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine (CID 91425019) is 5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine is CC(Cc1ccccc1)c1nnc(N)s1.
What is the InChIKey of 5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QVJBQVVROUHXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8(10-13-14-11(12)15-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14).
What are the key properties of 5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine?
5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 91425019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).