2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride

C7H13ClN2S — CID 52988778

IUPAC2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride
SMILESCc1csc(C(C)(C)N)n1.Cl
InChIInChI=1S/C7H12N2S.ClH/c1-5-4-10-6(9-5)7(2,3)8;/h4H,8H2,1-3H3;1H
InChIKeyIYDZMLOCMVWKMS-UHFFFAOYSA-N
MW192.72 g/mol
LogP2.07
Rot. Bonds1

About 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride

2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride (PubChem CID 52988778) has the molecular formula C7H13ClN2S and a molecular weight of 192.72 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride
PubChem CID52988778
Molecular FormulaC7H13ClN2S
Molecular Weight192.72 g/mol
Exact Mass192.05
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride
SMILESCc1csc(C(C)(C)N)n1.Cl
InChIInChI=1S/C7H12N2S.ClH/c1-5-4-10-6(9-5)7(2,3)8;/h4H,8H2,1-3H3;1H
InChIKeyIYDZMLOCMVWKMS-UHFFFAOYSA-N
XLogP2.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.72
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61336472
1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 83384873
(2R)-1-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 124679641
2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine
CID 114868540
2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol
CID 86669573
2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 61337262
4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 87626101
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892019
1-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 114832527
dicyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanol
CID 170068193
1-(2-methylcyclopropyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 130698574
N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 61331371

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride (CID 52988778) is 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride is Cc1csc(C(C)(C)N)n1.Cl.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride?
The InChIKey is IYDZMLOCMVWKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.ClH/c1-5-4-10-6(9-5)7(2,3)8;/h4H,8H2,1-3H3;1H.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride?
2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride has a molecular weight of 192.72 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 52988778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).