4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine

C10H11N3S — CID 25131489

IUPAC4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine
SMILESCc1nc(-c2ccc(N)c(N)c2)cs1
InChIInChI=1S/C10H11N3S/c1-6-13-10(5-14-6)7-2-3-8(11)9(12)4-7/h2-5H,11-12H2,1H3
InChIKeyTXJRBIXTMTVOFZ-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.28
Rot. Bonds1

About 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine

4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine (PubChem CID 25131489) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine
PubChem CID25131489
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine
SMILESCc1nc(-c2ccc(N)c(N)c2)cs1
InChIInChI=1S/C10H11N3S/c1-6-13-10(5-14-6)7-2-3-8(11)9(12)4-7/h2-5H,11-12H2,1H3
InChIKeyTXJRBIXTMTVOFZ-UHFFFAOYSA-N
XLogP2.28
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine (CID 25131489) is 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine is Cc1nc(-c2ccc(N)c(N)c2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine?
The InChIKey is TXJRBIXTMTVOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-6-13-10(5-14-6)7-2-3-8(11)9(12)4-7/h2-5H,11-12H2,1H3.
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine?
4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine has a molecular weight of 205.29 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 25131489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).