[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H14F3N5OS — CID 110676674

IUPAC[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(C(F)(F)F)sc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H14F3N5OS/c1-9-10(24-12(20-9)14(15,16)17)11(23)21-5-7-22(8-6-21)13-18-3-2-4-19-13/h2-4H,5-8H2,1H3
InChIKeyHQZZHKCXVIKFRV-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.22
Rot. Bonds2

About [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 110676674) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID110676674
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC Name[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(C(F)(F)F)sc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H14F3N5OS/c1-9-10(24-12(20-9)14(15,16)17)11(23)21-5-7-22(8-6-21)13-18-3-2-4-19-13/h2-4H,5-8H2,1H3
InChIKeyHQZZHKCXVIKFRV-UHFFFAOYSA-N
XLogP2.22
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 45823143
2,4-dimethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47211459
4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47284373
2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49028095
2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49385475
4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 51081167
4-methyl-2-propyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53501016
3-Methyl-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 56796745
(4-Pyrimidin-2-ylpiperazin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038076
(4-Methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone
CID 47339145
N-prop-2-enyl-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 72151833
(2,4-Dimethylthiazol-5-yl)(3-(pyrimidin-2-ylamino)azetidin-1-yl)methanone
CID 119103796

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 110676674) is [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1nc(C(F)(F)F)sc1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is HQZZHKCXVIKFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c1-9-10(24-12(20-9)14(15,16)17)11(23)21-5-7-22(8-6-21)13-18-3-2-4-19-13/h2-4H,5-8H2,1H3.
What are the key properties of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 357.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110676674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).