4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole

C19H19ClN4S — CID 143376763

IUPAC4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
SMILESCc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H19ClN4S/c1-13-21-9-8-16(22-13)18-17(14-6-5-7-15(20)12-14)23-19(25-18)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11H2,1H3
InChIKeyNFEBUARVTPFSLT-UHFFFAOYSA-N
MW370.91 g/mol
LogP5.22
Rot. Bonds3

About 4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole

4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole (PubChem CID 143376763) has the molecular formula C19H19ClN4S and a molecular weight of 370.91 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
PubChem CID143376763
Molecular FormulaC19H19ClN4S
Molecular Weight370.91 g/mol
Exact Mass370.10
IUPAC Name4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
SMILESCc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H19ClN4S/c1-13-21-9-8-16(22-13)18-17(14-6-5-7-15(20)12-14)23-19(25-18)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11H2,1H3
InChIKeyNFEBUARVTPFSLT-UHFFFAOYSA-N
XLogP5.22
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
CID 15603904
5-(2-methylsulfinylpyrimidin-4-yl)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 15602938
4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole
CID 15604125
2-(4-methylpiperidin-1-yl)-5-(2-methylsulfanylpyrimidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 15604008
5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 129303200
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
CID 21408778
6-chloro-2-piperidin-1-yl-4H-indeno[1,2-d][1,3]thiazole
CID 14053873
5-[2-(1-aminocyclohexyl)-4-pyridinyl]-4-(3-chlorophenyl)-1,3-thiazol-2-amine
CID 87896523
4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine
CID 79441260
7-chloro-2-piperidin-1-yl-4H-indeno[1,2-d][1,3]thiazole
CID 14053872
4-(3,5-diphenylphenyl)-2-methylpyrimidine
CID 129265272

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole (CID 143376763) is 4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole is Cc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(Cl)c2)n1.
What is the InChIKey of 4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole?
The InChIKey is NFEBUARVTPFSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4S/c1-13-21-9-8-16(22-13)18-17(14-6-5-7-15(20)12-14)23-19(25-18)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole?
4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole has a molecular weight of 370.91 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 143376763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).