2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride

C9H16Cl2N2S — CID 170905802

IUPAC2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride
SMILESCC1(c2nccs2)CCNCC1.Cl.Cl
InChIInChI=1S/C9H14N2S.2ClH/c1-9(2-4-10-5-3-9)8-11-6-7-12-8;;/h6-7,10H,2-5H2,1H3;2*1H
InChIKeyFCPSWGQGVCTNFB-UHFFFAOYSA-N
MW255.21 g/mol
LogP2.63
Rot. Bonds1

About 2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride

2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride (PubChem CID 170905802) has the molecular formula C9H16Cl2N2S and a molecular weight of 255.21 g/mol. Its IUPAC name is 2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride
PubChem CID170905802
Molecular FormulaC9H16Cl2N2S
Molecular Weight255.21 g/mol
Exact Mass254.04
IUPAC Name2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride
SMILESCC1(c2nccs2)CCNCC1.Cl.Cl
InChIInChI=1S/C9H14N2S.2ClH/c1-9(2-4-10-5-3-9)8-11-6-7-12-8;;/h6-7,10H,2-5H2,1H3;2*1H
InChIKeyFCPSWGQGVCTNFB-UHFFFAOYSA-N
XLogP2.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyloxetan-3-yl)-1,3-thiazole
CID 58513727
2-(4-methylpiperidin-4-yl)pyrimidine;hydrochloride
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N,3-dimethyl-4-(1,3-thiazol-2-yl)piperidin-4-amine
CID 114501724
N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 131065818
2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 110114192
2-(2-methyloxiran-2-yl)-1,3-thiazole
CID 45121806
2-[4-methyl-1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1,3-thiazole
CID 124965228
2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole
CID 67915715
1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114185
4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 114041967
2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110114196
1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
CID 82184336

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride (CID 170905802) is 2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride is CC1(c2nccs2)CCNCC1.Cl.Cl.
What is the InChIKey of 2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride?
The InChIKey is FCPSWGQGVCTNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.2ClH/c1-9(2-4-10-5-3-9)8-11-6-7-12-8;;/h6-7,10H,2-5H2,1H3;2*1H.
What are the key properties of 2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride?
2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride has a molecular weight of 255.21 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-4-yl)-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 170905802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).