4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride

C11H13ClN2S — CID 2870539

IUPAC4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCc1ccc(-c2csc(N)n2)cc1C.Cl
InChIInChI=1S/C11H12N2S.ClH/c1-7-3-4-9(5-8(7)2)10-6-14-11(12)13-10;/h3-6H,1-2H3,(H2,12,13);1H
InChIKeyXCIBGTGCDHTHPY-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.43
Rot. Bonds1

About 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride

4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 2870539) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID2870539
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCc1ccc(-c2csc(N)n2)cc1C.Cl
InChIInChI=1S/C11H12N2S.ClH/c1-7-3-4-9(5-8(7)2)10-6-14-11(12)13-10;/h3-6H,1-2H3,(H2,12,13);1H
InChIKeyXCIBGTGCDHTHPY-UHFFFAOYSA-N
XLogP3.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one
CID 82445602
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide
CID 19375996
1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 63379443
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylbenzoic acid
CID 155410143
4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878327
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983796
2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
CID 79832425
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine
CID 161234714
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride (CID 2870539) is 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride is Cc1ccc(-c2csc(N)n2)cc1C.Cl.
What is the InChIKey of 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is XCIBGTGCDHTHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.ClH/c1-7-3-4-9(5-8(7)2)10-6-14-11(12)13-10;/h3-6H,1-2H3,(H2,12,13);1H.
What are the key properties of 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride?
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 240.76 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 2870539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).