N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide

C15H16F3N5OS — CID 126785255

IUPACN-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCc1csc(N2CCCC2)n1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C15H16F3N5OS/c16-15(17,18)13-20-7-10(8-21-13)12(24)19-4-3-11-9-25-14(22-11)23-5-1-2-6-23/h7-9H,1-6H2,(H,19,24)
InChIKeyICNIDGUNBUXDNG-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide

N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 126785255) has the molecular formula C15H16F3N5OS and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID126785255
Molecular FormulaC15H16F3N5OS
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC NameN-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCc1csc(N2CCCC2)n1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C15H16F3N5OS/c16-15(17,18)13-20-7-10(8-21-13)12(24)19-4-3-11-9-25-14(22-11)23-5-1-2-6-23/h7-9H,1-6H2,(H,19,24)
InChIKeyICNIDGUNBUXDNG-UHFFFAOYSA-N
XLogP2.52
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10894788, Example 100
CID 151770511
2-(2-(pyrimidin-2-ylamino)thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 49677921
2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 56744913
2-(ethylamino)-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-5-pyrimidinecarboxamide
CID 72931734
2-(ethylamino)-N-{2-[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72938924
2-(2-(Pyrimidin-2-ylamino)thiazol-4-yl)-1-(pyrrolidin-1-yl)ethanone
CID 49670861
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 118795205
2-cyclopropyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 125516607
2,2,2-trifluoro-N-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazol-4-yl]acetamide
CID 145049357
N-[4-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 153314082
1-(4-Tert-butyl-1,3-thiazol-2-yl)-6-methylsulfanyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidin-3-one
CID 155193477
N-[1-(1,3-thiazol-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 155412828

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 126785255) is N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide is O=C(NCCc1csc(N2CCCC2)n1)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is ICNIDGUNBUXDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5OS/c16-15(17,18)13-20-7-10(8-21-13)12(24)19-4-3-11-9-25-14(22-11)23-5-1-2-6-23/h7-9H,1-6H2,(H,19,24).
What are the key properties of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide?
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 126785255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).