4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine

C12H16N4S — CID 20564387

IUPAC4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine
SMILESCc1nc(N(C)C)sc1-c1ccc(N)c(N)c1
InChIInChI=1S/C12H16N4S/c1-7-11(17-12(15-7)16(2)3)8-4-5-9(13)10(14)6-8/h4-6H,13-14H2,1-3H3
InChIKeyAMYKCXPGPSTGAF-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.35
Rot. Bonds2

About 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine

4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine (PubChem CID 20564387) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine
PubChem CID20564387
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine
SMILESCc1nc(N(C)C)sc1-c1ccc(N)c(N)c1
InChIInChI=1S/C12H16N4S/c1-7-11(17-12(15-7)16(2)3)8-4-5-9(13)10(14)6-8/h4-6H,13-14H2,1-3H3
InChIKeyAMYKCXPGPSTGAF-UHFFFAOYSA-N
XLogP2.35
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine?
The IUPAC name of 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine (CID 20564387) is 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine.
What is the SMILES notation for 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine?
The canonical SMILES for 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine is Cc1nc(N(C)C)sc1-c1ccc(N)c(N)c1.
What is the InChIKey of 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine?
The InChIKey is AMYKCXPGPSTGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-7-11(17-12(15-7)16(2)3)8-4-5-9(13)10(14)6-8/h4-6H,13-14H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine?
4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine has a molecular weight of 248.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine is sourced from PubChem (CID 20564387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).