5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride

C13H19Cl2N5S — CID 171700358

IUPAC5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCc1cnc(Nc2nccc(C3CCCCN3)n2)s1.Cl.Cl
InChIInChI=1S/C13H17N5S.2ClH/c1-9-8-16-13(19-9)18-12-15-7-5-11(17-12)10-4-2-3-6-14-10;;/h5,7-8,10,14H,2-4,6H2,1H3,(H,15,16,17,18);2*1H
InChIKeyOWOFVNYOPQRSHL-UHFFFAOYSA-N
MW348.30 g/mol
LogP3.64
Rot. Bonds3

About 5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride

5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 171700358) has the molecular formula C13H19Cl2N5S and a molecular weight of 348.30 g/mol. Its IUPAC name is 5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride
PubChem CID171700358
Molecular FormulaC13H19Cl2N5S
Molecular Weight348.30 g/mol
Exact Mass347.07
IUPAC Name5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCc1cnc(Nc2nccc(C3CCCCN3)n2)s1.Cl.Cl
InChIInChI=1S/C13H17N5S.2ClH/c1-9-8-16-13(19-9)18-12-15-7-5-11(17-12)10-4-2-3-6-14-10;;/h5,7-8,10,14H,2-4,6H2,1H3,(H,15,16,17,18);2*1H
InChIKeyOWOFVNYOPQRSHL-UHFFFAOYSA-N
XLogP3.64
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 171688131
N-methyl-4-[(2S)-piperidin-2-yl]pyrimidin-2-amine
CID 95827769
5-methyl-N-(2-methyl-6-piperidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 175662363
4-piperidin-2-yl-N-pyrazin-2-ylpyrimidin-2-amine
CID 110266729
N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95836667
2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842847
6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 95836671
2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
CID 107543448
4-pyrrolidin-2-ylpyrimidin-2-amine
CID 53408029
N-(4-pyrrolidin-2-ylpyrimidin-2-yl)cyclopropanesulfonamide
CID 167035052
5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide
CID 166305722
2,3-dimethyl-6-piperidin-2-ylpyridine
CID 84662827

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride (CID 171700358) is 5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride is Cc1cnc(Nc2nccc(C3CCCCN3)n2)s1.Cl.Cl.
What is the InChIKey of 5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is OWOFVNYOPQRSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S.2ClH/c1-9-8-16-13(19-9)18-12-15-7-5-11(17-12)10-4-2-3-6-14-10;;/h5,7-8,10,14H,2-4,6H2,1H3,(H,15,16,17,18);2*1H.
What are the key properties of 5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride?
5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 348.30 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 171700358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).