3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine

C10H10ClN3S2 — CID 66144604

IUPAC3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CSc2ccc(Cl)cc2)ns1
InChIInChI=1S/C10H10ClN3S2/c1-12-10-13-9(14-16-10)6-15-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyGHLVJIOHWYSVEX-UHFFFAOYSA-N
MW271.80 g/mol
LogP3.53
Rot. Bonds4

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

3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 66144604) has the molecular formula C10H10ClN3S2 and a molecular weight of 271.80 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID66144604
Molecular FormulaC10H10ClN3S2
Molecular Weight271.80 g/mol
Exact Mass271.00
IUPAC Name3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CSc2ccc(Cl)cc2)ns1
InChIInChI=1S/C10H10ClN3S2/c1-12-10-13-9(14-16-10)6-15-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyGHLVJIOHWYSVEX-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 66144994
5-chloro-3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 66144603
5-bromo-3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 102617853
3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 66083854
N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66066330
N-cyclopropyl-3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66066426
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268704
N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268568
1-[2-[(4-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 66144009
2-[(4-chlorophenyl)sulfanylmethyl]-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66298176
6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 79239984
5-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66301089

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine (CID 66144604) is 3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine is CNc1nc(CSc2ccc(Cl)cc2)ns1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is GHLVJIOHWYSVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S2/c1-12-10-13-9(14-16-10)6-15-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3,(H,12,13,14).
What are the key properties of 3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine?
3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 271.80 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66144604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).