4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine

C9H10ClN3S — CID 175443642

IUPAC4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine
SMILESNC1=NC(N)(c2cccc(Cl)c2)CS1
InChIInChI=1S/C9H10ClN3S/c10-7-3-1-2-6(4-7)9(12)5-14-8(11)13-9/h1-4H,5,12H2,(H2,11,13)
InChIKeyMKZTYYPZKIIXKT-UHFFFAOYSA-N
MW227.72 g/mol
LogP1.51
Rot. Bonds1

About 4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine

4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine (PubChem CID 175443642) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine
PubChem CID175443642
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine
SMILESNC1=NC(N)(c2cccc(Cl)c2)CS1
InChIInChI=1S/C9H10ClN3S/c10-7-3-1-2-6(4-7)9(12)5-14-8(11)13-9/h1-4H,5,12H2,(H2,11,13)
InChIKeyMKZTYYPZKIIXKT-UHFFFAOYSA-N
XLogP1.51
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine?
The IUPAC name of 4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine (CID 175443642) is 4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine?
The canonical SMILES for 4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine is NC1=NC(N)(c2cccc(Cl)c2)CS1.
What is the InChIKey of 4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine?
The InChIKey is MKZTYYPZKIIXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c10-7-3-1-2-6(4-7)9(12)5-14-8(11)13-9/h1-4H,5,12H2,(H2,11,13).
What are the key properties of 4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine?
4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine has a molecular weight of 227.72 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5H-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 175443642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).