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

C7H14Cl2N2S — CID 47000660

IUPAC3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride
SMILESCc1csc(CCCN)n1.Cl.Cl
InChIInChI=1S/C7H12N2S.2ClH/c1-6-5-10-7(9-6)3-2-4-8;;/h5H,2-4,8H2,1H3;2*1H
InChIKeyCSJHCQDRYAUEQH-UHFFFAOYSA-N
MW229.18 g/mol
LogP2.19
Rot. Bonds3

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

3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride (PubChem CID 47000660) has the molecular formula C7H14Cl2N2S and a molecular weight of 229.18 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride
PubChem CID47000660
Molecular FormulaC7H14Cl2N2S
Molecular Weight229.18 g/mol
Exact Mass228.03
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride
SMILESCc1csc(CCCN)n1.Cl.Cl
InChIInChI=1S/C7H12N2S.2ClH/c1-6-5-10-7(9-6)3-2-4-8;;/h5H,2-4,8H2,1H3;2*1H
InChIKeyCSJHCQDRYAUEQH-UHFFFAOYSA-N
XLogP2.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride (CID 47000660) is 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride is Cc1csc(CCCN)n1.Cl.Cl.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
The InChIKey is CSJHCQDRYAUEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.2ClH/c1-6-5-10-7(9-6)3-2-4-8;;/h5H,2-4,8H2,1H3;2*1H.
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride has a molecular weight of 229.18 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 47000660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).