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

C16H13F2N3OS — CID 142576493

IUPAC(5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
SMILESCc1nc2c(s1)CN(C(=O)c1cc3cc(F)c(F)cc3[nH]1)CC2
InChIInChI=1S/C16H13F2N3OS/c1-8-19-12-2-3-21(7-15(12)23-8)16(22)14-5-9-4-10(17)11(18)6-13(9)20-14/h4-6,20H,2-3,7H2,1H3
InChIKeyUCAAYOBXQWJHEV-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.41
Rot. Bonds1

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

(5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone (PubChem CID 142576493) has the molecular formula C16H13F2N3OS and a molecular weight of 333.36 g/mol. Its IUPAC name is (5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
PubChem CID142576493
Molecular FormulaC16H13F2N3OS
Molecular Weight333.36 g/mol
Exact Mass333.07
IUPAC Name(5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
SMILESCc1nc2c(s1)CN(C(=O)c1cc3cc(F)c(F)cc3[nH]1)CC2
InChIInChI=1S/C16H13F2N3OS/c1-8-19-12-2-3-21(7-15(12)23-8)16(22)14-5-9-4-10(17)11(18)6-13(9)20-14/h4-6,20H,2-3,7H2,1H3
InChIKeyUCAAYOBXQWJHEV-UHFFFAOYSA-N
XLogP3.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576176
(4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576350
(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
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 150471098
(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
6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl-(6-fluoro-1H-indol-2-yl)methanone
CID 155092641
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
CID 142576411
(6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576132
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
(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
1H-indol-2-yl-(2-phenylmethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576163
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525454

Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?
The IUPAC name of (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) is (5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone.
What is the SMILES notation for (5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?
The canonical SMILES for (5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone is Cc1nc2c(s1)CN(C(=O)c1cc3cc(F)c(F)cc3[nH]1)CC2.
What is the InChIKey of (5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?
The InChIKey is UCAAYOBXQWJHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3OS/c1-8-19-12-2-3-21(7-15(12)23-8)16(22)14-5-9-4-10(17)11(18)6-13(9)20-14/h4-6,20H,2-3,7H2,1H3.
What are the key properties of (5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?
(5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone has a molecular weight of 333.36 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone is sourced from PubChem (CID 142576493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).