5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine

C10H10ClN3S — CID 23463071

IUPAC5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(Cl)ccc1Cc1nnc(N)s1
InChIInChI=1S/C10H10ClN3S/c1-6-4-8(11)3-2-7(6)5-9-13-14-10(12)15-9/h2-4H,5H2,1H3,(H2,12,14)
InChIKeyZGRVEGJPNDLYNY-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.67
Rot. Bonds2

About 5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine

5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 23463071) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID23463071
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(Cl)ccc1Cc1nnc(N)s1
InChIInChI=1S/C10H10ClN3S/c1-6-4-8(11)3-2-7(6)5-9-13-14-10(12)15-9/h2-4H,5H2,1H3,(H2,12,14)
InChIKeyZGRVEGJPNDLYNY-UHFFFAOYSA-N
XLogP2.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 23463071) is 5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine is Cc1cc(Cl)ccc1Cc1nnc(N)s1.
What is the InChIKey of 5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZGRVEGJPNDLYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-6-4-8(11)3-2-7(6)5-9-13-14-10(12)15-9/h2-4H,5H2,1H3,(H2,12,14).
What are the key properties of 5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 239.73 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 23463071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).