N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide

C18H16BrN3O2S — CID 90526696

IUPACN-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(Cc1ccc(Br)cc1)CC2)c1ccco1
InChIInChI=1S/C18H16BrN3O2S/c19-13-5-3-12(4-6-13)10-22-8-7-14-16(11-22)25-18(20-14)21-17(23)15-2-1-9-24-15/h1-6,9H,7-8,10-11H2,(H,20,21,23)
InChIKeyDPNWEVZAHCWQRJ-UHFFFAOYSA-N
MW418.32 g/mol
LogP4.31
Rot. Bonds4

About N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide

N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 90526696) has the molecular formula C18H16BrN3O2S and a molecular weight of 418.32 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
PubChem CID90526696
Molecular FormulaC18H16BrN3O2S
Molecular Weight418.32 g/mol
Exact Mass417.01
IUPAC NameN-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(Cc1ccc(Br)cc1)CC2)c1ccco1
InChIInChI=1S/C18H16BrN3O2S/c19-13-5-3-12(4-6-13)10-22-8-7-14-16(11-22)25-18(20-14)21-17(23)15-2-1-9-24-15/h1-6,9H,7-8,10-11H2,(H,20,21,23)
InChIKeyDPNWEVZAHCWQRJ-UHFFFAOYSA-N
XLogP4.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526706
N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide
CID 44976263
N-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526714
N-[5-[(2,5-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526730
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 17455381
N-[5-[2-(tert-butylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526684
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-bromopyridine-3-carboxamide
CID 17390840
N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526660
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate
CID 90531798
N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526767
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide
CID 16547092

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 90526696) is N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is O=C(Nc1nc2c(s1)CN(Cc1ccc(Br)cc1)CC2)c1ccco1.
What is the InChIKey of N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The InChIKey is DPNWEVZAHCWQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2S/c19-13-5-3-12(4-6-13)10-22-8-7-14-16(11-22)25-18(20-14)21-17(23)15-2-1-9-24-15/h1-6,9H,7-8,10-11H2,(H,20,21,23).
What are the key properties of N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 418.32 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 90526696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).