2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide

C18H16F2N6OS — CID 67457645

IUPAC2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
SMILESCN(c1ncc(-c2ncc(C(N)=O)s2)cn1)C1(c2ncccc2F)CC(F)C1
InChIInChI=1S/C18H16F2N6OS/c1-26(18(5-11(19)6-18)14-12(20)3-2-4-22-14)17-24-7-10(8-25-17)16-23-9-13(28-16)15(21)27/h2-4,7-9,11H,5-6H2,1H3,(H2,21,27)
InChIKeyCTPCEUOBTXKWJB-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.70
Rot. Bonds5

About 2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide

2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide (PubChem CID 67457645) has the molecular formula C18H16F2N6OS and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
PubChem CID67457645
Molecular FormulaC18H16F2N6OS
Molecular Weight402.43 g/mol
Exact Mass402.11
IUPAC Name2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
SMILESCN(c1ncc(-c2ncc(C(N)=O)s2)cn1)C1(c2ncccc2F)CC(F)C1
InChIInChI=1S/C18H16F2N6OS/c1-26(18(5-11(19)6-18)14-12(20)3-2-4-22-14)17-24-7-10(8-25-17)16-23-9-13(28-16)15(21)27/h2-4,7-9,11H,5-6H2,1H3,(H2,21,27)
InChIKeyCTPCEUOBTXKWJB-UHFFFAOYSA-N
XLogP2.70
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-tert-butyl-N-[[2-methyl-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 162648404
5-(6-(2-Fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52949868
N-[[4-(2-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 118139523
2-tert-butyl-N-[[2-methyl-4-[2-(pyridin-2-ylamino)pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 118139711
N-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 138586743
US20240000767, Example 133
CID 156735066
US12540134, Example 127
CID 156735214
[6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 44579405
5-(6-(4-fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-N-propylthiazol-2-amine
CID 52941640
2-(2-Aminopyrimidin-4-yl)-4-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 90643543
2-(2-Aminopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 90643544
2-(2-Aminopyrimidin-4-yl)-4-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide
CID 90643545

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide (CID 67457645) is 2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide is CN(c1ncc(-c2ncc(C(N)=O)s2)cn1)C1(c2ncccc2F)CC(F)C1.
What is the InChIKey of 2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is CTPCEUOBTXKWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6OS/c1-26(18(5-11(19)6-18)14-12(20)3-2-4-22-14)17-24-7-10(8-25-17)16-23-9-13(28-16)15(21)27/h2-4,7-9,11H,5-6H2,1H3,(H2,21,27).
What are the key properties of 2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]pyrimidin-5-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 67457645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).