N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C16H16F3N5OS — CID 78866166

IUPACN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)Nc3nc(C(F)(F)F)cs3)c(C)n2n1
InChIInChI=1S/C16H16F3N5OS/c1-8-6-13-20-9(2)11(10(3)24(13)23-8)4-5-14(25)22-15-21-12(7-26-15)16(17,18)19/h6-7H,4-5H2,1-3H3,(H,21,22,25)
InChIKeyGFQYCXMSJKDNQC-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.70
Rot. Bonds4

About N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 78866166) has the molecular formula C16H16F3N5OS and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID78866166
Molecular FormulaC16H16F3N5OS
Molecular Weight383.40 g/mol
Exact Mass383.10
IUPAC NameN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)Nc3nc(C(F)(F)F)cs3)c(C)n2n1
InChIInChI=1S/C16H16F3N5OS/c1-8-6-13-20-9(2)11(10(3)24(13)23-8)4-5-14(25)22-15-21-12(7-26-15)16(17,18)19/h6-7H,4-5H2,1-3H3,(H,21,22,25)
InChIKeyGFQYCXMSJKDNQC-UHFFFAOYSA-N
XLogP3.70
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 15945543
N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 3238939
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(4-methylthiazol-2-yl)propanamide
CID 135885906
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 20862969
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 20863025
N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-c]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 87396252
N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 87456651
N-[5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;hydroxylamine
CID 161569793
N-(4-Methyl-1,3-thiazol-2-YL)-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamide
CID 6620289
N-(4-methyl-1,3-thiazol-2-yl)-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide
CID 23602991
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 16343568
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 16622382

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 78866166) is N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)Nc3nc(C(F)(F)F)cs3)c(C)n2n1.
What is the InChIKey of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is GFQYCXMSJKDNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5OS/c1-8-6-13-20-9(2)11(10(3)24(13)23-8)4-5-14(25)22-15-21-12(7-26-15)16(17,18)19/h6-7H,4-5H2,1-3H3,(H,21,22,25).
What are the key properties of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 383.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 78866166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).