4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile

C10H13ClN4S — CID 106595966

IUPAC4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile
SMILESCNC1CCCN(c2nc(Cl)c(C#N)s2)C1
InChIInChI=1S/C10H13ClN4S/c1-13-7-3-2-4-15(6-7)10-14-9(11)8(5-12)16-10/h7,13H,2-4,6H2,1H3
InChIKeyFHSKUUMWPLIVLV-UHFFFAOYSA-N
MW256.76 g/mol
LogP1.86
Rot. Bonds2

About 4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile

4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile (PubChem CID 106595966) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is 4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile
PubChem CID106595966
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC Name4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile
SMILESCNC1CCCN(c2nc(Cl)c(C#N)s2)C1
InChIInChI=1S/C10H13ClN4S/c1-13-7-3-2-4-15(6-7)10-14-9(11)8(5-12)16-10/h7,13H,2-4,6H2,1H3
InChIKeyFHSKUUMWPLIVLV-UHFFFAOYSA-N
XLogP1.86
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole-5-carbonitrile
CID 106595938
4-chloro-2-(3-methylazetidin-1-yl)-1,3-thiazole-5-carbonitrile
CID 130621289
4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile
CID 130174606
2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435632
4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carbonitrile
CID 106594988
4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile
CID 106595131
4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 114271048
2-chloro-6-[3-(methylamino)piperidin-1-yl]benzonitrile
CID 62547970
(3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine
CID 97164747
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine
CID 65276097
4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile
CID 106596041
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea
CID 144857934

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile (CID 106595966) is 4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile is CNC1CCCN(c2nc(Cl)c(C#N)s2)C1.
What is the InChIKey of 4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile?
The InChIKey is FHSKUUMWPLIVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4S/c1-13-7-3-2-4-15(6-7)10-14-9(11)8(5-12)16-10/h7,13H,2-4,6H2,1H3.
What are the key properties of 4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile?
4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile has a molecular weight of 256.76 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).