N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide

C24H18ClF3N4O4S — CID 143770313

IUPACN-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(OC2=NC3SC(NC(=O)C4CC4)=NC3C=C2)ccc1Cl)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H18ClF3N4O4S/c25-16-7-6-14(11-18(16)29-21(34)13-2-1-3-15(10-13)36-24(26,27)28)35-19-9-8-17-22(31-19)37-23(30-17)32-20(33)12-4-5-12/h1-3,6-12,17,22H,4-5H2,(H,29,34)(H,30,32,33)
InChIKeyRPLWLTJJHZLSAZ-UHFFFAOYSA-N
MW550.95 g/mol
LogP5.16
Rot. Bonds5

About N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide

N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 143770313) has the molecular formula C24H18ClF3N4O4S and a molecular weight of 550.95 g/mol. Its IUPAC name is N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide
PubChem CID143770313
Molecular FormulaC24H18ClF3N4O4S
Molecular Weight550.95 g/mol
Exact Mass550.07
IUPAC NameN-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(OC2=NC3SC(NC(=O)C4CC4)=NC3C=C2)ccc1Cl)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H18ClF3N4O4S/c25-16-7-6-14(11-18(16)29-21(34)13-2-1-3-15(10-13)36-24(26,27)28)35-19-9-8-17-22(31-19)37-23(30-17)32-20(33)12-4-5-12/h1-3,6-12,17,22H,4-5H2,(H,29,34)(H,30,32,33)
InChIKeyRPLWLTJJHZLSAZ-UHFFFAOYSA-N
XLogP5.16
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.95
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide with MolForge

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Related Compounds

N-[4-chloro-5-[[7-cyano-2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-3-(trifluoromethoxy)benzamide
CID 59454480
phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate
CID 164583961
3-[[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86655380
(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63409770
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 45139569
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453
N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233838
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide
CID 162600212
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide
CID 10338943
N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 142503787

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide (CID 143770313) is N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide is O=C(Nc1cc(OC2=NC3SC(NC(=O)C4CC4)=NC3C=C2)ccc1Cl)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is RPLWLTJJHZLSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N4O4S/c25-16-7-6-14(11-18(16)29-21(34)13-2-1-3-15(10-13)36-24(26,27)28)35-19-9-8-17-22(31-19)37-23(30-17)32-20(33)12-4-5-12/h1-3,6-12,17,22H,4-5H2,(H,29,34)(H,30,32,33).
What are the key properties of N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide?
N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 550.95 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 143770313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).