N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C20H20F3N5OS — CID 142790124

IUPACN-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)CC(CNC(=O)c1cnc(-c2ncccn2)s1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H20F3N5OS/c1-12(2)8-14(13-4-5-16(26-9-13)20(21,22)23)10-27-18(29)15-11-28-19(30-15)17-24-6-3-7-25-17/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,27,29)
InChIKeyJMSFDKMPGOVSBT-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.57
Rot. Bonds7

About N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 142790124) has the molecular formula C20H20F3N5OS and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID142790124
Molecular FormulaC20H20F3N5OS
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC NameN-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)CC(CNC(=O)c1cnc(-c2ncccn2)s1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H20F3N5OS/c1-12(2)8-14(13-4-5-16(26-9-13)20(21,22)23)10-27-18(29)15-11-28-19(30-15)17-24-6-3-7-25-17/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,27,29)
InChIKeyJMSFDKMPGOVSBT-UHFFFAOYSA-N
XLogP4.57
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 142790124) is N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CC(C)CC(CNC(=O)c1cnc(-c2ncccn2)s1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JMSFDKMPGOVSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5OS/c1-12(2)8-14(13-4-5-16(26-9-13)20(21,22)23)10-27-18(29)15-11-28-19(30-15)17-24-6-3-7-25-17/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,27,29).
What are the key properties of N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 142790124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).