N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C14H17F3N4OS — CID 19566598

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1nc(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C)sc1C
InChIInChI=1S/C14H17F3N4OS/c1-7(12(22)19-13-18-9(3)10(4)23-13)6-21-8(2)5-11(20-21)14(15,16)17/h5,7H,6H2,1-4H3,(H,18,19,22)
InChIKeyYHOVZVWMIHAGAR-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.56
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19566598) has the molecular formula C14H17F3N4OS and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19566598
Molecular FormulaC14H17F3N4OS
Molecular Weight346.38 g/mol
Exact Mass346.11
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1nc(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C)sc1C
InChIInChI=1S/C14H17F3N4OS/c1-7(12(22)19-13-18-9(3)10(4)23-13)6-21-8(2)5-11(20-21)14(15,16)17/h5,7H,6H2,1-4H3,(H,18,19,22)
InChIKeyYHOVZVWMIHAGAR-UHFFFAOYSA-N
XLogP3.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19566598) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1nc(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is YHOVZVWMIHAGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4OS/c1-7(12(22)19-13-18-9(3)10(4)23-13)6-21-8(2)5-11(20-21)14(15,16)17/h5,7H,6H2,1-4H3,(H,18,19,22).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 346.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19566598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).