5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole

C22H24N4OS — CID 173186195

IUPAC5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(N3CCCCC3)sc2-c2ncncc2C2CC2)cc1
InChIInChI=1S/C22H24N4OS/c1-27-17-9-7-16(8-10-17)19-21(20-18(15-5-6-15)13-23-14-24-20)28-22(25-19)26-11-3-2-4-12-26/h7-10,13-15H,2-6,11-12H2,1H3
InChIKeyBQLIIBHGPHYYFP-UHFFFAOYSA-N
MW392.53 g/mol
LogP5.14
Rot. Bonds5

About 5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole

5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole (PubChem CID 173186195) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole
PubChem CID173186195
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(N3CCCCC3)sc2-c2ncncc2C2CC2)cc1
InChIInChI=1S/C22H24N4OS/c1-27-17-9-7-16(8-10-17)19-21(20-18(15-5-6-15)13-23-14-24-20)28-22(25-19)26-11-3-2-4-12-26/h7-10,13-15H,2-6,11-12H2,1H3
InChIKeyBQLIIBHGPHYYFP-UHFFFAOYSA-N
XLogP5.14
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 4788158
4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole
CID 60528657
1-[4-(4-phenoxyphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 171750255
1-[4-(4-phenoxyphenyl)-5-pyrimidin-5-yl-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid
CID 164706764
1-[4-(4-phenoxyphenyl)-5-pyrimidin-5-yl-1,3-thiazol-2-yl]azetidine-3-carboxylic acid
CID 164706690
5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 129303200
5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 46245149
1-[2-(azepan-1-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62763999
2-(4-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53317859
N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8850714
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carbonitrile
CID 68904389
9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline
CID 118467811

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole (CID 173186195) is 5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole is COc1ccc(-c2nc(N3CCCCC3)sc2-c2ncncc2C2CC2)cc1.
What is the InChIKey of 5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole?
The InChIKey is BQLIIBHGPHYYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-27-17-9-7-16(8-10-17)19-21(20-18(15-5-6-15)13-23-14-24-20)28-22(25-19)26-11-3-2-4-12-26/h7-10,13-15H,2-6,11-12H2,1H3.
What are the key properties of 5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole?
5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole has a molecular weight of 392.53 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 173186195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).