5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine

C14H17N3S2 — CID 2872803

IUPAC5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SC(CCC2CC2)c2ccccc2)s1
InChIInChI=1S/C14H17N3S2/c15-13-16-17-14(19-13)18-12(9-8-10-6-7-10)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,15,16)
InChIKeyAKSMPJRSASLFBL-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.14
Rot. Bonds6

About 5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine

5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 2872803) has the molecular formula C14H17N3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID2872803
Molecular FormulaC14H17N3S2
Molecular Weight291.44 g/mol
Exact Mass291.09
IUPAC Name5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SC(CCC2CC2)c2ccccc2)s1
InChIInChI=1S/C14H17N3S2/c15-13-16-17-14(19-13)18-12(9-8-10-6-7-10)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,15,16)
InChIKeyAKSMPJRSASLFBL-UHFFFAOYSA-N
XLogP4.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 723666
1,3,4-Thiadiazol-2-amine, 5-((phenylmethyl)thio)-
CID 99285
5-{[3-(Trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 778407
5-(2-Fluoro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylamine
CID 735097
N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
CID 6460553
2-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzonitrile
CID 721621
5-[(3-Methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-ylamine
CID 571196
5-{[(4-Methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 693296
4-{[(5-Amino-1,3,4-thiadiazol-2-yl)thio]methyl}benzonitrile
CID 702352
5-(benzylthio)-N-methyl-1,3,4-thiadiazol-2-amine
CID 805117
5-(4-Phenylbutan-2-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 47061602
5-[(3-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-ylamine
CID 1480621

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine (CID 2872803) is 5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine is Nc1nnc(SC(CCC2CC2)c2ccccc2)s1.
What is the InChIKey of 5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AKSMPJRSASLFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c15-13-16-17-14(19-13)18-12(9-8-10-6-7-10)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,15,16).
What are the key properties of 5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine?
5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 291.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1-phenylpropyl)sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2872803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).