1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one

C17H19ClN2OS — CID 139929661

IUPAC1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one
SMILESCC(CN1CCCC1)C(=O)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H19ClN2OS/c1-12(10-20-8-2-3-9-20)16(21)17-19-15(11-22-17)13-4-6-14(18)7-5-13/h4-7,11-12H,2-3,8-10H2,1H3
InChIKeySFJGGBQRGAPOSJ-UHFFFAOYSA-N
MW334.87 g/mol
LogP4.38
Rot. Bonds5

About 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 139929661) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one
PubChem CID139929661
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one
SMILESCC(CN1CCCC1)C(=O)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H19ClN2OS/c1-12(10-20-8-2-3-9-20)16(21)17-19-15(11-22-17)13-4-6-14(18)7-5-13/h4-7,11-12H,2-3,8-10H2,1H3
InChIKeySFJGGBQRGAPOSJ-UHFFFAOYSA-N
XLogP4.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961
1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 12952373
4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374
4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
CID 79566531
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 126758633
1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 10825696
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 15227816
4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79567342
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpentan-3-one
CID 59670883
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one (CID 139929661) is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one is CC(CN1CCCC1)C(=O)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SFJGGBQRGAPOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-12(10-20-8-2-3-9-20)16(21)17-19-15(11-22-17)13-4-6-14(18)7-5-13/h4-7,11-12H,2-3,8-10H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 334.87 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 139929661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).