N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C16H13F4N3O2S — CID 58236143

IUPACN-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)N(CC(F)(F)F)C(=O)C1(F)CC1
InChIInChI=1S/C16H13F4N3O2S/c1-9-11(26-12(22-9)10-3-2-6-21-7-10)13(24)23(8-16(18,19)20)14(25)15(17)4-5-15/h2-3,6-7H,4-5,8H2,1H3
InChIKeyAOUPULKUCBTASH-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.55
Rot. Bonds4

About N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 58236143) has the molecular formula C16H13F4N3O2S and a molecular weight of 387.36 g/mol. Its IUPAC name is N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID58236143
Molecular FormulaC16H13F4N3O2S
Molecular Weight387.36 g/mol
Exact Mass387.07
IUPAC NameN-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)N(CC(F)(F)F)C(=O)C1(F)CC1
InChIInChI=1S/C16H13F4N3O2S/c1-9-11(26-12(22-9)10-3-2-6-21-7-10)13(24)23(8-16(18,19)20)14(25)15(17)4-5-15/h2-3,6-7H,4-5,8H2,1H3
InChIKeyAOUPULKUCBTASH-UHFFFAOYSA-N
XLogP3.55
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 90125514
4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 58236116
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 86824226
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 30134172
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 3040028
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
4-methyl-N-[(2-nitrophenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 55664308
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 39080777
4-methyl-2-pyridin-3-yl-N-quinolin-2-yl-1,3-thiazole-5-carboxamide
CID 71111596
4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 82032654

Frequently Asked Questions

What is the IUPAC name of N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 58236143) is N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)N(CC(F)(F)F)C(=O)C1(F)CC1.
What is the InChIKey of N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is AOUPULKUCBTASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3O2S/c1-9-11(26-12(22-9)10-3-2-6-21-7-10)13(24)23(8-16(18,19)20)14(25)15(17)4-5-15/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluorocyclopropanecarbonyl)-4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58236143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).