2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide

C18H16F2N4O3S2 — CID 78056493

IUPAC2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnsc1N1CCOCC1CO)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C18H16F2N4O3S2/c19-11-2-1-3-12(20)15(11)17-23-14(9-28-17)16(26)22-13-6-21-29-18(13)24-4-5-27-8-10(24)7-25/h1-3,6,9-10,25H,4-5,7-8H2,(H,22,26)
InChIKeySEDSZCQXJOFWKQ-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.99
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 78056493) has the molecular formula C18H16F2N4O3S2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID78056493
Molecular FormulaC18H16F2N4O3S2
Molecular Weight438.48 g/mol
Exact Mass438.06
IUPAC Name2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnsc1N1CCOCC1CO)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C18H16F2N4O3S2/c19-11-2-1-3-12(20)15(11)17-23-14(9-28-17)16(26)22-13-6-21-29-18(13)24-4-5-27-8-10(24)7-25/h1-3,6,9-10,25H,4-5,7-8H2,(H,22,26)
InChIKeySEDSZCQXJOFWKQ-UHFFFAOYSA-N
XLogP2.99
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 152845077
2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 71261832
2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 71261802
6-(2,6-difluorophenyl)-N-[5-(4-hydroxypiperidin-1-yl)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261824
N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 177371019
2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine;oxolane
CID 144595150
N-[1-cyclopropyl-5-[(2R,6R)-6-fluorooxepan-2-yl]pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 144923525
2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 143858623
2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 126782991
N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262725
2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 71261555

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide (CID 78056493) is 2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cnsc1N1CCOCC1CO)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is SEDSZCQXJOFWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3S2/c19-11-2-1-3-12(20)15(11)17-23-14(9-28-17)16(26)22-13-6-21-29-18(13)24-4-5-27-8-10(24)7-25/h1-3,6,9-10,25H,4-5,7-8H2,(H,22,26).
What are the key properties of 2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78056493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).