(4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone

C15H15ClN2OS — CID 125016946

IUPAC(4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CC[C@@H](Cc2nccs2)C1
InChIInChI=1S/C15H15ClN2OS/c16-13-3-1-12(2-4-13)15(19)18-7-5-11(10-18)9-14-17-6-8-20-14/h1-4,6,8,11H,5,7,9-10H2/t11-/m0/s1
InChIKeyXDVPMRZTWALFLB-NSHDSACASA-N
MW306.82 g/mol
LogP3.50
Rot. Bonds3

About (4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone

(4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 125016946) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID125016946
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CC[C@@H](Cc2nccs2)C1
InChIInChI=1S/C15H15ClN2OS/c16-13-3-1-12(2-4-13)15(19)18-7-5-11(10-18)9-14-17-6-8-20-14/h1-4,6,8,11H,5,7,9-10H2/t11-/m0/s1
InChIKeyXDVPMRZTWALFLB-NSHDSACASA-N
XLogP3.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844873
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245559
(3-methyl-2-pyridinyl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245569
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
(4-aminophenyl)-[(3S)-3-[(5-chloropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methanone
CID 159950056
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 166616000
(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 136567724
(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 125006896
(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492756

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone (CID 125016946) is (4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CC[C@@H](Cc2nccs2)C1.
What is the InChIKey of (4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XDVPMRZTWALFLB-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-13-3-1-12(2-4-13)15(19)18-7-5-11(10-18)9-14-17-6-8-20-14/h1-4,6,8,11H,5,7,9-10H2/t11-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
(4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 306.82 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125016946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).