N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide

C19H20ClFN4O2S — CID 90531343

IUPACN-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
SMILESO=C(CN1CCc2nc(NC(=O)C3CCC3)sc2C1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H20ClFN4O2S/c20-13-8-12(4-5-14(13)21)22-17(26)10-25-7-6-15-16(9-25)28-19(23-15)24-18(27)11-2-1-3-11/h4-5,8,11H,1-3,6-7,9-10H2,(H,22,26)(H,23,24,27)
InChIKeyHPVXOKFYWXEOID-UHFFFAOYSA-N
MW422.91 g/mol
LogP3.67
Rot. Bonds5

About N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide

N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide (PubChem CID 90531343) has the molecular formula C19H20ClFN4O2S and a molecular weight of 422.91 g/mol. Its IUPAC name is N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
PubChem CID90531343
Molecular FormulaC19H20ClFN4O2S
Molecular Weight422.91 g/mol
Exact Mass422.10
IUPAC NameN-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
SMILESO=C(CN1CCc2nc(NC(=O)C3CCC3)sc2C1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H20ClFN4O2S/c20-13-8-12(4-5-14(13)21)22-17(26)10-25-7-6-15-16(9-25)28-19(23-15)24-18(27)11-2-1-3-11/h4-5,8,11H,1-3,6-7,9-10H2,(H,22,26)(H,23,24,27)
InChIKeyHPVXOKFYWXEOID-UHFFFAOYSA-N
XLogP3.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531275
N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531346
N-[5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531360
N-(3-chlorophenyl)-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90529505
1-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3-chloro-4-fluorophenyl)thiourea
CID 21008661
N-[5-(4-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531120
ethyl N-[5-[2-(3-chloroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528031
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531357
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90529523
N-[5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531362
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-[5-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526267

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide (CID 90531343) is N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide is O=C(CN1CCc2nc(NC(=O)C3CCC3)sc2C1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The InChIKey is HPVXOKFYWXEOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2S/c20-13-8-12(4-5-14(13)21)22-17(26)10-25-7-6-15-16(9-25)28-19(23-15)24-18(27)11-2-1-3-11/h4-5,8,11H,1-3,6-7,9-10H2,(H,22,26)(H,23,24,27).
What are the key properties of N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide has a molecular weight of 422.91 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 90531343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).