5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine

C10H10ClN3S2 — CID 744068

IUPAC5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CSCc2ccc(Cl)cc2)s1
InChIInChI=1S/C10H10ClN3S2/c11-8-3-1-7(2-4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14)
InChIKeyVSAFAOOUMDSKCS-UHFFFAOYSA-N
MW271.80 g/mol
LogP3.21
Rot. Bonds4

About 5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine

5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 744068) has the molecular formula C10H10ClN3S2 and a molecular weight of 271.80 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine
PubChem CID744068
Molecular FormulaC10H10ClN3S2
Molecular Weight271.80 g/mol
Exact Mass271.00
IUPAC Name5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CSCc2ccc(Cl)cc2)s1
InChIInChI=1S/C10H10ClN3S2/c11-8-3-1-7(2-4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14)
InChIKeyVSAFAOOUMDSKCS-UHFFFAOYSA-N
XLogP3.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(((4-Chlorophenyl)methyl)thio)-1,3,4-thiadiazol-2-amine
CID 351887
5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 668392
5-(4-Chlorobenzyl)-1,3,4-thiadiazol-2-amine
CID 702289
5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine
CID 5346752
5-[(2-Chlorobenzyl)thio]-1,3,4-thiadiazol-2-amine
CID 673926
5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine
CID 676566
5-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 673461
5-[(4-Chlorophenylsulfanyl)methyl]-1,3,4-thiadiazol-2amine
CID 659767
5-[2-(4-Chlorophenylsulfanyl)ethyl]-1,3,4-thiadiazol-2amine
CID 4348010
5-{[(2-Chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-amine
CID 1868435
5-{[1-(2-Chlorophenyl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 587037
5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine
CID 659915

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine (CID 744068) is 5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CSCc2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VSAFAOOUMDSKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S2/c11-8-3-1-7(2-4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14).
What are the key properties of 5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 271.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 744068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).