[2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone

C19H21FN2OS — CID 91118545

IUPAC[2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1ccccc1F
InChIInChI=1S/C19H21FN2OS/c1-12-6-4-5-11-22(12)19(23)16-17(14-7-2-3-8-15(14)20)24-18(21-16)13-9-10-13/h2-3,7-8,12-13H,4-6,9-11H2,1H3/t12-/m0/s1
InChIKeyIIGXWJDDGGTUGI-LBPRGKRZSA-N
MW344.45 g/mol
LogP4.84
Rot. Bonds3

About [2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone

[2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone (PubChem CID 91118545) has the molecular formula C19H21FN2OS and a molecular weight of 344.45 g/mol. Its IUPAC name is [2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
PubChem CID91118545
Molecular FormulaC19H21FN2OS
Molecular Weight344.45 g/mol
Exact Mass344.14
IUPAC Name[2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1ccccc1F
InChIInChI=1S/C19H21FN2OS/c1-12-6-4-5-11-22(12)19(23)16-17(14-7-2-3-8-15(14)20)24-18(21-16)13-9-10-13/h2-3,7-8,12-13H,4-6,9-11H2,1H3/t12-/m0/s1
InChIKeyIIGXWJDDGGTUGI-LBPRGKRZSA-N
XLogP4.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 68614089
N-[[(2S)-1-[2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide
CID 25119658
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118426768
[(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
CID 95739175
[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 58924876
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 167911729
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one
CID 51644039
(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 115497894
(5-fluoro-1-methylindol-2-yl) N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate
CID 68613855
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3875834

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone (CID 91118545) is [2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone is C[C@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1ccccc1F.
What is the InChIKey of [2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The InChIKey is IIGXWJDDGGTUGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21FN2OS/c1-12-6-4-5-11-22(12)19(23)16-17(14-7-2-3-8-15(14)20)24-18(21-16)13-9-10-13/h2-3,7-8,12-13H,4-6,9-11H2,1H3/t12-/m0/s1.
What are the key properties of [2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone?
[2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone has a molecular weight of 344.45 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 91118545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).