4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile

C10H13N3S — CID 116966279

IUPAC4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile
SMILESCN1CCC(c2csc(C#N)n2)CC1
InChIInChI=1S/C10H13N3S/c1-13-4-2-8(3-5-13)9-7-14-10(6-11)12-9/h7-8H,2-5H2,1H3
InChIKeyRTWLCSFYGLDCAO-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.82
Rot. Bonds1

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

4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile (PubChem CID 116966279) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile
PubChem CID116966279
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile
SMILESCN1CCC(c2csc(C#N)n2)CC1
InChIInChI=1S/C10H13N3S/c1-13-4-2-8(3-5-13)9-7-14-10(6-11)12-9/h7-8H,2-5H2,1H3
InChIKeyRTWLCSFYGLDCAO-UHFFFAOYSA-N
XLogP1.82
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-1,3-thiazole-2-carbonitrile
CID 71748573
4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 115021188
methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate
CID 116966375
4-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]butanenitrile
CID 116968995
2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 115042295
1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116964946
2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115041246
6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115022328
5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine
CID 116968277
4-cyclohexyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 21392466
1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile
CID 116890816
3-amino-3-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116966886

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile (CID 116966279) is 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile is CN1CCC(c2csc(C#N)n2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile?
The InChIKey is RTWLCSFYGLDCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-13-4-2-8(3-5-13)9-7-14-10(6-11)12-9/h7-8H,2-5H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile?
4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile has a molecular weight of 207.30 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile is sourced from PubChem (CID 116966279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).