5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine

C12H12ClN3S2 — CID 17435424

IUPAC5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESClc1ccccc1CSc1nnc(NC2CC2)s1
InChIInChI=1S/C12H12ClN3S2/c13-10-4-2-1-3-8(10)7-17-12-16-15-11(18-12)14-9-5-6-9/h1-4,9H,5-7H2,(H,14,15)
InChIKeyOXDSQVIPQZDOOP-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.06
Rot. Bonds5

About 5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine

5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine (PubChem CID 17435424) has the molecular formula C12H12ClN3S2 and a molecular weight of 297.84 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
PubChem CID17435424
Molecular FormulaC12H12ClN3S2
Molecular Weight297.84 g/mol
Exact Mass297.02
IUPAC Name5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESClc1ccccc1CSc1nnc(NC2CC2)s1
InChIInChI=1S/C12H12ClN3S2/c13-10-4-2-1-3-8(10)7-17-12-16-15-11(18-12)14-9-5-6-9/h1-4,9H,5-7H2,(H,14,15)
InChIKeyOXDSQVIPQZDOOP-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 41457859
N-[(2-chlorophenyl)methyl]-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 110826573
N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 35179632
2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole
CID 19205052
N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 30079274
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8633071
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8674414
N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3304160
5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine
CID 17463397
2-chloro-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 18864326
N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 8674705
2-[[2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8633068

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine (CID 17435424) is 5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine is Clc1ccccc1CSc1nnc(NC2CC2)s1.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The InChIKey is OXDSQVIPQZDOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S2/c13-10-4-2-1-3-8(10)7-17-12-16-15-11(18-12)14-9-5-6-9/h1-4,9H,5-7H2,(H,14,15).
What are the key properties of 5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine has a molecular weight of 297.84 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 17435424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).