2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C20H26N4O3S2 — CID 42894090

IUPAC2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(CCSC)C(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C20H26N4O3S2/c1-24-10-8-14-17(12-24)29-20(22-14)23-19(26)15(9-11-28-3)21-18(25)13-6-4-5-7-16(13)27-2/h4-7,15H,8-12H2,1-3H3,(H,21,25)(H,22,23,26)
InChIKeyGKVKBGADBRCYKO-UHFFFAOYSA-N
MW434.59 g/mol
LogP2.63
Rot. Bonds8

About 2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 42894090) has the molecular formula C20H26N4O3S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID42894090
Molecular FormulaC20H26N4O3S2
Molecular Weight434.59 g/mol
Exact Mass434.14
IUPAC Name2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(CCSC)C(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C20H26N4O3S2/c1-24-10-8-14-17(12-24)29-20(22-14)23-19(26)15(9-11-28-3)21-18(25)13-6-4-5-7-16(13)27-2/h4-7,15H,8-12H2,1-3H3,(H,21,25)(H,22,23,26)
InChIKeyGKVKBGADBRCYKO-UHFFFAOYSA-N
XLogP2.63
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

2-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 15282280
N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 8881985
2-(2-methoxyphenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 31246055
N-[1-(2-hydroxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 43018299
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]butan-2-yl]benzamide
CID 55453252
N-[1-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55331704
N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55480724
2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide
CID 31246908
4-chloro-2-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 51096037
N-[1-(4-tert-butylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 43001768
N-[1-[4-(2,3-dihydroindol-1-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55963868
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenoxy)propanamide
CID 55628609

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 42894090) is 2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is COc1ccccc1C(=O)NC(CCSC)C(=O)Nc1nc2c(s1)CN(C)CC2.
What is the InChIKey of 2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is GKVKBGADBRCYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S2/c1-24-10-8-14-17(12-24)29-20(22-14)23-19(26)15(9-11-28-3)21-18(25)13-6-4-5-7-16(13)27-2/h4-7,15H,8-12H2,1-3H3,(H,21,25)(H,22,23,26).
What are the key properties of 2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 434.59 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 42894090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).