[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone

C19H18FN3O3S — CID 143636066

IUPAC[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCc1ccc(Nc2c(C(=O)N3CCS(=O)CC3)oc3ccncc23)c(F)c1
InChIInChI=1S/C19H18FN3O3S/c1-12-2-3-15(14(20)10-12)22-17-13-11-21-5-4-16(13)26-18(17)19(24)23-6-8-27(25)9-7-23/h2-5,10-11,22H,6-9H2,1H3
InChIKeyZSOHALDYATTWBT-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.22
Rot. Bonds3

About [3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone

[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 143636066) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is [3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID143636066
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCc1ccc(Nc2c(C(=O)N3CCS(=O)CC3)oc3ccncc23)c(F)c1
InChIInChI=1S/C19H18FN3O3S/c1-12-2-3-15(14(20)10-12)22-17-13-11-21-5-4-16(13)26-18(17)19(24)23-6-8-27(25)9-7-23/h2-5,10-11,22H,6-9H2,1H3
InChIKeyZSOHALDYATTWBT-UHFFFAOYSA-N
XLogP3.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 143636055
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)furo[3,2-c]pyridine-2-carboxamide
CID 143636022
ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
CID 143636167
N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;ethane
CID 143636219
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 143636209
CID 88886020
CID 88886020
3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 151410687
7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 143636049
ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636100
N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
CID 25013799
CID 88885978
CID 88885978
3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 69035529

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 143636066) is [3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone is Cc1ccc(Nc2c(C(=O)N3CCS(=O)CC3)oc3ccncc23)c(F)c1.
What is the InChIKey of [3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is ZSOHALDYATTWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-12-2-3-15(14(20)10-12)22-17-13-11-21-5-4-16(13)26-18(17)19(24)23-6-8-27(25)9-7-23/h2-5,10-11,22H,6-9H2,1H3.
What are the key properties of [3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 387.44 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 143636066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).