(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone

C15H10BrClFN3OS — CID 150805748

IUPAC(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCc2nc(Br)sc2C1
InChIInChI=1S/C15H10BrClFN3OS/c16-15-20-10-1-2-21(6-13(10)23-15)14(22)12-5-8-9(17)3-7(18)4-11(8)19-12/h3-5,19H,1-2,6H2
InChIKeyKGVCSHFBMOKNRH-UHFFFAOYSA-N
MW414.69 g/mol
LogP4.38
Rot. Bonds1

About (2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone

(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone (PubChem CID 150805748) has the molecular formula C15H10BrClFN3OS and a molecular weight of 414.69 g/mol. Its IUPAC name is (2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
PubChem CID150805748
Molecular FormulaC15H10BrClFN3OS
Molecular Weight414.69 g/mol
Exact Mass412.94
IUPAC Name(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCc2nc(Br)sc2C1
InChIInChI=1S/C15H10BrClFN3OS/c16-15-20-10-1-2-21(6-13(10)23-15)14(22)12-5-8-9(17)3-7(18)4-11(8)19-12/h3-5,19H,1-2,6H2
InChIKeyKGVCSHFBMOKNRH-UHFFFAOYSA-N
XLogP4.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.69
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(6-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 142576436
azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
CID 166285155
N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide
CID 150010082
(4-ethyl-6-fluoro-1H-indol-2-yl)-[2-[(1-hydroxycyclobutyl)methylamino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 150918452
(6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576510
(5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576493
(4-ethyl-6-fluoro-1H-indol-2-yl)-[2-[[(3R)-oxolan-3-yl]methylamino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576459
N-[5-(4-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylcyclopropane-1-carboxamide
CID 142576556
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-(difluoromethyl)-1H-indol-2-yl]methanone
CID 142576431
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-(hydroxymethyl)-1H-indol-2-yl]methanone
CID 142576547
6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl-(6-fluoro-1H-indol-2-yl)methanone
CID 155092641
(4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576350

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of (2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone (CID 150805748) is (2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for (2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for (2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone is O=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCc2nc(Br)sc2C1.
What is the InChIKey of (2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone?
The InChIKey is KGVCSHFBMOKNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN3OS/c16-15-20-10-1-2-21(6-13(10)23-15)14(22)12-5-8-9(17)3-7(18)4-11(8)19-12/h3-5,19H,1-2,6H2.
What are the key properties of (2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone?
(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone has a molecular weight of 414.69 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 150805748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).