5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride

C11H13ClN2S — CID 42956273

IUPAC5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(N)sc1Cc1ccccc1.Cl
InChIInChI=1S/C11H12N2S.ClH/c1-8-10(14-11(12)13-8)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H2,12,13);1H
InChIKeyUNIGKAONEMIXDP-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.05
Rot. Bonds2

About 5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride

5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 42956273) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID42956273
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(N)sc1Cc1ccccc1.Cl
InChIInChI=1S/C11H12N2S.ClH/c1-8-10(14-11(12)13-8)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H2,12,13);1H
InChIKeyUNIGKAONEMIXDP-UHFFFAOYSA-N
XLogP3.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10275
2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenyl-5-methylthiazole
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2-Amino-4,5-diphenylthiazole
CID 73222
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
2,4-Diamino-5-phenylthiazole hydrobromide
CID 145824
2-Amino-4-(4-chlorophenyl)-5-methylthiazole
CID 667574
5-Methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 702265
2-Thiazolamine, 5-ethyl-4-phenyl-
CID 147560
4-Methyl-5-phenyl-thiazol-2-ylamine
CID 244067
N-(4,5-Dimethyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 548045
4-(diphenylmethyl)-2-Thiazolamine
CID 3478089

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride (CID 42956273) is 5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride is Cc1nc(N)sc1Cc1ccccc1.Cl.
What is the InChIKey of 5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is UNIGKAONEMIXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.ClH/c1-8-10(14-11(12)13-8)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H2,12,13);1H.
What are the key properties of 5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride?
5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 240.76 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 42956273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).