4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide

C18H21N3O3S — CID 20921073

IUPAC4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide
SMILESCc1cc(C)c2c(n1)SCCN2C(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C18H21N3O3S/c1-12-10-13(2)20-18-17(12)21(7-9-25-18)16(23)6-5-15(22)19-11-14-4-3-8-24-14/h3-4,8,10H,5-7,9,11H2,1-2H3,(H,19,22)
InChIKeySJXISRFDPYRSLK-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.83
Rot. Bonds5

About 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide

4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide (PubChem CID 20921073) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide
PubChem CID20921073
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide
SMILESCc1cc(C)c2c(n1)SCCN2C(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C18H21N3O3S/c1-12-10-13(2)20-18-17(12)21(7-9-25-18)16(23)6-5-15(22)19-11-14-4-3-8-24-14/h3-4,8,10H,5-7,9,11H2,1-2H3,(H,19,22)
InChIKeySJXISRFDPYRSLK-UHFFFAOYSA-N
XLogP2.83
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide
CID 108787804
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 6625516
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 27650062
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide
CID 20948419
4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 14674759
N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 3682802
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide?
The IUPAC name of 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide (CID 20921073) is 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide.
What is the SMILES notation for 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide?
The canonical SMILES for 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide is Cc1cc(C)c2c(n1)SCCN2C(=O)CCC(=O)NCc1ccco1.
What is the InChIKey of 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide?
The InChIKey is SJXISRFDPYRSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-10-13(2)20-18-17(12)21(7-9-25-18)16(23)6-5-15(22)19-11-14-4-3-8-24-14/h3-4,8,10H,5-7,9,11H2,1-2H3,(H,19,22).
What are the key properties of 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide?
4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide has a molecular weight of 359.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide is sourced from PubChem (CID 20921073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).