(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C19H22ClN3OS — CID 131904764

IUPAC(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCCCC1c1nccs1
InChIInChI=1S/C19H22ClN3OS/c20-15-13-14(6-7-16(15)22-9-3-4-10-22)19(24)23-11-2-1-5-17(23)18-21-8-12-25-18/h6-8,12-13,17H,1-5,9-11H2
InChIKeyDCLBXLCYTDSWCJ-UHFFFAOYSA-N
MW375.93 g/mol
LogP4.76
Rot. Bonds3

About (3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 131904764) has the molecular formula C19H22ClN3OS and a molecular weight of 375.93 g/mol. Its IUPAC name is (3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID131904764
Molecular FormulaC19H22ClN3OS
Molecular Weight375.93 g/mol
Exact Mass375.12
IUPAC Name(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCCCC1c1nccs1
InChIInChI=1S/C19H22ClN3OS/c20-15-13-14(6-7-16(15)22-9-3-4-10-22)19(24)23-11-2-1-5-17(23)18-21-8-12-25-18/h6-8,12-13,17H,1-5,9-11H2
InChIKeyDCLBXLCYTDSWCJ-UHFFFAOYSA-N
XLogP4.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119069341
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
[4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125437111
[4-(tetrazol-1-ylmethyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95148870
[3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 169411424
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 99928980
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 29181945
[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 131891485
4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 72924061
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 42394571
[2-(methylamino)-1,3-thiazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 77087316

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 131904764) is (3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCCCC1c1nccs1.
What is the InChIKey of (3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is DCLBXLCYTDSWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3OS/c20-15-13-14(6-7-16(15)22-9-3-4-10-22)19(24)23-11-2-1-5-17(23)18-21-8-12-25-18/h6-8,12-13,17H,1-5,9-11H2.
What are the key properties of (3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 375.93 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 131904764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).