2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride

C9H14Cl2N2S — CID 19018572

IUPAC2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride
SMILESCc1nc(C2=CCCNC2)cs1.Cl.Cl
InChIInChI=1S/C9H12N2S.2ClH/c1-7-11-9(6-12-7)8-3-2-4-10-5-8;;/h3,6,10H,2,4-5H2,1H3;2*1H
InChIKeyODHAYIICSZKDOF-UHFFFAOYSA-N
MW253.20 g/mol
LogP2.67
Rot. Bonds1

About 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride

2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride (PubChem CID 19018572) has the molecular formula C9H14Cl2N2S and a molecular weight of 253.20 g/mol. Its IUPAC name is 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride
PubChem CID19018572
Molecular FormulaC9H14Cl2N2S
Molecular Weight253.20 g/mol
Exact Mass252.03
IUPAC Name2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride
SMILESCc1nc(C2=CCCNC2)cs1.Cl.Cl
InChIInChI=1S/C9H12N2S.2ClH/c1-7-11-9(6-12-7)8-3-2-4-10-5-8;;/h3,6,10H,2,4-5H2,1H3;2*1H
InChIKeyODHAYIICSZKDOF-UHFFFAOYSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride (CID 19018572) is 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride is Cc1nc(C2=CCCNC2)cs1.Cl.Cl.
What is the InChIKey of 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride?
The InChIKey is ODHAYIICSZKDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S.2ClH/c1-7-11-9(6-12-7)8-3-2-4-10-5-8;;/h3,6,10H,2,4-5H2,1H3;2*1H.
What are the key properties of 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride?
2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride has a molecular weight of 253.20 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 19018572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).