N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide

C16H16F3N5OS — CID 88581192

IUPACN-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)C2=C(C)CCC=N2)s1
InChIInChI=1S/C16H16F3N5OS/c1-3-24-10(7-12(23-24)16(17,18)19)11-8-21-15(26-11)22-14(25)13-9(2)5-4-6-20-13/h6-8H,3-5H2,1-2H3,(H,21,22,25)
InChIKeyZBZPYMHYYRJBHC-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.12
Rot. Bonds4

About N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide

N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide (PubChem CID 88581192) has the molecular formula C16H16F3N5OS and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide
PubChem CID88581192
Molecular FormulaC16H16F3N5OS
Molecular Weight383.40 g/mol
Exact Mass383.10
IUPAC NameN-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)C2=C(C)CCC=N2)s1
InChIInChI=1S/C16H16F3N5OS/c1-3-24-10(7-12(23-24)16(17,18)19)11-8-21-15(26-11)22-14(25)13-9(2)5-4-6-20-13/h6-8H,3-5H2,1-2H3,(H,21,22,25)
InChIKeyZBZPYMHYYRJBHC-UHFFFAOYSA-N
XLogP4.12
TPSA72.17 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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide?
The IUPAC name of N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide (CID 88581192) is N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide?
The canonical SMILES for N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide is CCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)C2=C(C)CCC=N2)s1.
What is the InChIKey of N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide?
The InChIKey is ZBZPYMHYYRJBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5OS/c1-3-24-10(7-12(23-24)16(17,18)19)11-8-21-15(26-11)22-14(25)13-9(2)5-4-6-20-13/h6-8H,3-5H2,1-2H3,(H,21,22,25).
What are the key properties of N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide?
N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-5-methyl-3,4-dihydropyridine-6-carboxamide is sourced from PubChem (CID 88581192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).