N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C22H21F3N4OS — CID 67500033

IUPACN-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC1CC(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC(N)C1F
InChIInChI=1S/C22H21F3N4OS/c1-11-7-12(8-16(26)20(11)25)13-5-6-27-9-17(13)28-21(30)18-10-31-22(29-18)19-14(23)3-2-4-15(19)24/h2-6,9-12,16,20H,7-8,26H2,1H3,(H,28,30)
InChIKeyWSTRRKGONYVANU-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.91
Rot. Bonds4

About N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 67500033) has the molecular formula C22H21F3N4OS and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID67500033
Molecular FormulaC22H21F3N4OS
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC NameN-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC1CC(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC(N)C1F
InChIInChI=1S/C22H21F3N4OS/c1-11-7-12(8-16(26)20(11)25)13-5-6-27-9-17(13)28-21(30)18-10-31-22(29-18)19-14(23)3-2-4-15(19)24/h2-6,9-12,16,20H,7-8,26H2,1H3,(H,28,30)
InChIKeyWSTRRKGONYVANU-UHFFFAOYSA-N
XLogP4.91
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1R,3R,4S,5S)-3-amino-4-fluoro-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455739
N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74953869
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluoro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 59455700
N-[4-[(1R,3R,4S,5S)-3-amino-4,5-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 143951540
N-[4-[(1S,3S,4R,5R)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179668
5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123786027
N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 177371019
[(1R,2R,4R,6S)-2-amino-4-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-6-methylcyclohexyl] methanesulfonate
CID 72551165
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluoro-6-sulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 164928301
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226554
N-[4-[(1R,3R,4S,5S)-3-amino-4-azido-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 91937561
N-[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-methylsulfinylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide
CID 90055873

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 67500033) is N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is CC1CC(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC(N)C1F.
What is the InChIKey of N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WSTRRKGONYVANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4OS/c1-11-7-12(8-16(26)20(11)25)13-5-6-27-9-17(13)28-21(30)18-10-31-22(29-18)19-14(23)3-2-4-15(19)24/h2-6,9-12,16,20H,7-8,26H2,1H3,(H,28,30).
What are the key properties of N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67500033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).