(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride

C7H13ClN2S — CID 50944167

IUPAC(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
SMILESCCCc1nc(CN)cs1.Cl
InChIInChI=1S/C7H12N2S.ClH/c1-2-3-7-9-6(4-8)5-10-7;/h5H,2-4,8H2,1H3;1H
InChIKeyDAATWHXUJORYAS-UHFFFAOYSA-N
MW192.72 g/mol
LogP1.98
Rot. Bonds3

About (2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride

(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride (PubChem CID 50944167) has the molecular formula C7H13ClN2S and a molecular weight of 192.72 g/mol. Its IUPAC name is (2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
PubChem CID50944167
Molecular FormulaC7H13ClN2S
Molecular Weight192.72 g/mol
Exact Mass192.05
IUPAC Name(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
SMILESCCCc1nc(CN)cs1.Cl
InChIInChI=1S/C7H12N2S.ClH/c1-2-3-7-9-6(4-8)5-10-7;/h5H,2-4,8H2,1H3;1H
InChIKeyDAATWHXUJORYAS-UHFFFAOYSA-N
XLogP1.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.72
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine
CID 116888476
2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
2-(2-propyl-1,3-thiazol-4-yl)acetonitrile
CID 62929491
ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 143669035
N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 119928878
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
2-octyl-4-propyl-1,3-thiazole
CID 86124626
2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid
CID 116890720
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
CID 62652679

Frequently Asked Questions

What is the IUPAC name of (2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride (CID 50944167) is (2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride is CCCc1nc(CN)cs1.Cl.
What is the InChIKey of (2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride?
The InChIKey is DAATWHXUJORYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.ClH/c1-2-3-7-9-6(4-8)5-10-7;/h5H,2-4,8H2,1H3;1H.
What are the key properties of (2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride?
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride has a molecular weight of 192.72 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 50944167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).