N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine

C13H15N3S2 — CID 30079274

IUPACN-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESC[C@H](Sc1nnc(NC2CC2)s1)c1ccccc1
InChIInChI=1S/C13H15N3S2/c1-9(10-5-3-2-4-6-10)17-13-16-15-12(18-13)14-11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyBKSGZJKHMCPCQK-VIFPVBQESA-N
MW277.42 g/mol
LogP3.97
Rot. Bonds5

About N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine

N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 30079274) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID30079274
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC NameN-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESC[C@H](Sc1nnc(NC2CC2)s1)c1ccccc1
InChIInChI=1S/C13H15N3S2/c1-9(10-5-3-2-4-6-10)17-13-16-15-12(18-13)14-11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyBKSGZJKHMCPCQK-VIFPVBQESA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]benzonitrile
CID 99808974
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 8674447
(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)-2-phenylacetamide
CID 8674567
2-[1-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135957965
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide
CID 86918990
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide
CID 46666473
N-cyclohexyl-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 138009657
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 51190931
(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 8674591
N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 8674705
5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 17435424
N-[5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 42578596

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 30079274) is N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine is C[C@H](Sc1nnc(NC2CC2)s1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BKSGZJKHMCPCQK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N3S2/c1-9(10-5-3-2-4-6-10)17-13-16-15-12(18-13)14-11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 277.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 30079274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).