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

C17H17N3O2S — CID 142576350

IUPAC(4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCc4nc(C)sc4C3)cc12
InChIInChI=1S/C17H17N3O2S/c1-10-18-13-6-7-20(9-16(13)23-10)17(21)14-8-11-12(19-14)4-3-5-15(11)22-2/h3-5,8,19H,6-7,9H2,1-2H3
InChIKeyPAKIRQYCJQWWOX-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.14
Rot. Bonds2

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

(4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone (PubChem CID 142576350) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
PubChem CID142576350
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCc4nc(C)sc4C3)cc12
InChIInChI=1S/C17H17N3O2S/c1-10-18-13-6-7-20(9-16(13)23-10)17(21)14-8-11-12(19-14)4-3-5-15(11)22-2/h3-5,8,19H,6-7,9H2,1-2H3
InChIKeyPAKIRQYCJQWWOX-UHFFFAOYSA-N
XLogP3.14
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(7-chloro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576176
(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
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-cyclopropyl-1H-indol-2-yl)methanone
CID 142576340
7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155909473
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
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
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 150471098
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
CID 142576411
(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

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?
The IUPAC name of (4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone (CID 142576350) is (4-methoxy-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 (4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?
The canonical SMILES for (4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone is COc1cccc2[nH]c(C(=O)N3CCc4nc(C)sc4C3)cc12.
What is the InChIKey of (4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?
The InChIKey is PAKIRQYCJQWWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-18-13-6-7-20(9-16(13)23-10)17(21)14-8-11-12(19-14)4-3-5-15(11)22-2/h3-5,8,19H,6-7,9H2,1-2H3.
What are the key properties of (4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?
(4-methoxy-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 327.41 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-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 142576350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).