3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine

C12H15N3S — CID 82057620

IUPAC3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCCc1nc(Nc2cccc(N)c2)sc1C
InChIInChI=1S/C12H15N3S/c1-3-11-8(2)16-12(15-11)14-10-6-4-5-9(13)7-10/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyWMTBAEVGDCVVOP-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.34
Rot. Bonds3

About 3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine

3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine (PubChem CID 82057620) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
PubChem CID82057620
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCCc1nc(Nc2cccc(N)c2)sc1C
InChIInChI=1S/C12H15N3S/c1-3-11-8(2)16-12(15-11)14-10-6-4-5-9(13)7-10/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyWMTBAEVGDCVVOP-UHFFFAOYSA-N
XLogP3.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide
CID 82785480
4-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4,6-triamine
CID 114053167
2-chloro-4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 62947656
2-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 115545249
3-chloro-4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
CID 63086787
3-N-(thiatriazol-5-yl)benzene-1,3-diamine
CID 117044448
2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61472147
6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile
CID 64594711
5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine
CID 114052101
5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61471894
3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile
CID 102815682
methyl 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzoate
CID 82785402

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine (CID 82057620) is 3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine is CCc1nc(Nc2cccc(N)c2)sc1C.
What is the InChIKey of 3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The InChIKey is WMTBAEVGDCVVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-11-8(2)16-12(15-11)14-10-6-4-5-9(13)7-10/h4-7H,3,13H2,1-2H3,(H,14,15).
What are the key properties of 3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine has a molecular weight of 233.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 82057620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).