3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride

C8H16Cl2N2S — CID 50944269

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride
SMILESCc1nc(CCCN)sc1C.Cl.Cl
InChIInChI=1S/C8H14N2S.2ClH/c1-6-7(2)11-8(10-6)4-3-5-9;;/h3-5,9H2,1-2H3;2*1H
InChIKeyNNEKADDWNLOTTJ-UHFFFAOYSA-N
MW243.20 g/mol
LogP2.49
Rot. Bonds3

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride

3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride (PubChem CID 50944269) has the molecular formula C8H16Cl2N2S and a molecular weight of 243.20 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride
PubChem CID50944269
Molecular FormulaC8H16Cl2N2S
Molecular Weight243.20 g/mol
Exact Mass242.04
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride
SMILESCc1nc(CCCN)sc1C.Cl.Cl
InChIInChI=1S/C8H14N2S.2ClH/c1-6-7(2)11-8(10-6)4-3-5-9;;/h3-5,9H2,1-2H3;2*1H
InChIKeyNNEKADDWNLOTTJ-UHFFFAOYSA-N
XLogP2.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride (CID 50944269) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride is Cc1nc(CCCN)sc1C.Cl.Cl.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
The InChIKey is NNEKADDWNLOTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S.2ClH/c1-6-7(2)11-8(10-6)4-3-5-9;;/h3-5,9H2,1-2H3;2*1H.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride?
3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride has a molecular weight of 243.20 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 50944269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).