4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide

C21H17F3N4O2S — CID 53141343

IUPAC4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1snc(-c2ccccn2)c1NC(=O)C1CC1
InChIInChI=1S/C21H17F3N4O2S/c22-21(23,24)14-5-3-4-12(10-14)11-26-20(30)18-17(27-19(29)13-7-8-13)16(28-31-18)15-6-1-2-9-25-15/h1-6,9-10,13H,7-8,11H2,(H,26,30)(H,27,29)
InChIKeyVQQLRIWXKBEDAL-UHFFFAOYSA-N
MW446.45 g/mol
LogP4.50
Rot. Bonds6

About 4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide

4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide (PubChem CID 53141343) has the molecular formula C21H17F3N4O2S and a molecular weight of 446.45 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide
PubChem CID53141343
Molecular FormulaC21H17F3N4O2S
Molecular Weight446.45 g/mol
Exact Mass446.10
IUPAC Name4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1snc(-c2ccccn2)c1NC(=O)C1CC1
InChIInChI=1S/C21H17F3N4O2S/c22-21(23,24)14-5-3-4-12(10-14)11-26-20(30)18-17(27-19(29)13-7-8-13)16(28-31-18)15-6-1-2-9-25-15/h1-6,9-10,13H,7-8,11H2,(H,26,30)(H,27,29)
InChIKeyVQQLRIWXKBEDAL-UHFFFAOYSA-N
XLogP4.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide with MolForge

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Related Compounds

4-(propanoylamino)-N-propyl-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141305
2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 149457957
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395379
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
CID 143473581
2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117087020
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 42062876
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
(2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 95291139
N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
CID 46450428
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514810

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide (CID 53141343) is 4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1snc(-c2ccccn2)c1NC(=O)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide?
The InChIKey is VQQLRIWXKBEDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2S/c22-21(23,24)14-5-3-4-12(10-14)11-26-20(30)18-17(27-19(29)13-7-8-13)16(28-31-18)15-6-1-2-9-25-15/h1-6,9-10,13H,7-8,11H2,(H,26,30)(H,27,29).
What are the key properties of 4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide?
4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-3-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 53141343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).