4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C19H24F3N5O2S — CID 59108537

IUPAC4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCOc1cncc(-c2nc(C(C)(C)N3CCNC(C(=O)NCC(F)(F)F)C3)cs2)c1
InChIInChI=1S/C19H24F3N5O2S/c1-18(2,15-10-30-17(26-15)12-6-13(29-3)8-23-7-12)27-5-4-24-14(9-27)16(28)25-11-19(20,21)22/h6-8,10,14,24H,4-5,9,11H2,1-3H3,(H,25,28)
InChIKeyASDPUKVPTXWZDS-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.40
Rot. Bonds6

About 4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 59108537) has the molecular formula C19H24F3N5O2S and a molecular weight of 443.50 g/mol. Its IUPAC name is 4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID59108537
Molecular FormulaC19H24F3N5O2S
Molecular Weight443.50 g/mol
Exact Mass443.16
IUPAC Name4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCOc1cncc(-c2nc(C(C)(C)N3CCNC(C(=O)NCC(F)(F)F)C3)cs2)c1
InChIInChI=1S/C19H24F3N5O2S/c1-18(2,15-10-30-17(26-15)12-6-13(29-3)8-23-7-12)27-5-4-24-14(9-27)16(28)25-11-19(20,21)22/h6-8,10,14,24H,4-5,9,11H2,1-3H3,(H,25,28)
InChIKeyASDPUKVPTXWZDS-UHFFFAOYSA-N
XLogP2.40
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 44449617
N-(2-methoxyphenyl)-2-(pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 44449647
2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 25122716
pyridin-3-yl N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate
CID 149661095
2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24712819
2-[(4-Fluorophenoxy)methyl]-N-[(pyridin-3-YL)methyl]-1,3-thiazole-4-carboxamide
CID 24712832
N-(2-pyridin-2-ylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
CID 46003397
1-[Cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[1-(3-methoxy-4-pyridinyl)ethyl]urea
CID 86817852
1,5-anhydro-2,4-dideoxy-3-O-(6-methylpyridin-3-yl)-4-[(1,3-thiazol-4-ylcarbonyl)amino]-D-erythro-pentitol
CID 91787934
2-[(dimethylamino)methyl]-N-[(3S,4S)-4-pyridin-2-yloxyoxan-3-yl]-1,3-thiazole-4-carboxamide
CID 164636450
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
CID 24764549
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 49846875

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of 4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 59108537) is 4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is COc1cncc(-c2nc(C(C)(C)N3CCNC(C(=O)NCC(F)(F)F)C3)cs2)c1.
What is the InChIKey of 4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is ASDPUKVPTXWZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O2S/c1-18(2,15-10-30-17(26-15)12-6-13(29-3)8-23-7-12)27-5-4-24-14(9-27)16(28)25-11-19(20,21)22/h6-8,10,14,24H,4-5,9,11H2,1-3H3,(H,25,28).
What are the key properties of 4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(5-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 59108537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).