5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine

C10H10ClN3S — CID 103361005

IUPAC5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCc2cccc(Cl)c2)sn1
InChIInChI=1S/C10H10ClN3S/c11-8-3-1-2-7(4-8)6-13-10-5-9(12)14-15-10/h1-5,13H,6H2,(H2,12,14)
InChIKeyJLHSXXDLYMWHSZ-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.99
Rot. Bonds3

About 5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine

5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103361005) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103361005
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCc2cccc(Cl)c2)sn1
InChIInChI=1S/C10H10ClN3S/c11-8-3-1-2-7(4-8)6-13-10-5-9(12)14-15-10/h1-5,13H,6H2,(H2,12,14)
InChIKeyJLHSXXDLYMWHSZ-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine (CID 103361005) is 5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine is Nc1cc(NCc2cccc(Cl)c2)sn1.
What is the InChIKey of 5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is JLHSXXDLYMWHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c11-8-3-1-2-7(4-8)6-13-10-5-9(12)14-15-10/h1-5,13H,6H2,(H2,12,14).
What are the key properties of 5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine?
5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 239.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).