5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide

C19H18N4O4S2 — CID 90530670

IUPAC5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)/C=C/c2ccccc2)CC3)no1
InChIInChI=1S/C19H18N4O4S2/c1-13-11-16(22-27-13)18(24)21-19-20-15-7-9-23(12-17(15)28-19)29(25,26)10-8-14-5-3-2-4-6-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,21,24)/b10-8+
InChIKeyFPZVXNZSCXHWCM-CSKARUKUSA-N
MW430.51 g/mol
LogP3.05
Rot. Bonds5

About 5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 90530670) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID90530670
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC Name5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)/C=C/c2ccccc2)CC3)no1
InChIInChI=1S/C19H18N4O4S2/c1-13-11-16(22-27-13)18(24)21-19-20-15-7-9-23(12-17(15)28-19)29(25,26)10-8-14-5-3-2-4-6-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,21,24)/b10-8+
InChIKeyFPZVXNZSCXHWCM-CSKARUKUSA-N
XLogP3.05
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530671
N-[5-(5-chlorothiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71788200
5-methyl-N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530373
N-[5-(3-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530679
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 16848015
5-methyl-N-[5-(5-methyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530430
benzyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90530580
5-methyl-N-[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530527
5-methyl-N-[5-(4-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530303
5-methyl-N-(5-pent-4-enoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
CID 90530266
N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530358
ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90530579

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide (CID 90530670) is 5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)/C=C/c2ccccc2)CC3)no1.
What is the InChIKey of 5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is FPZVXNZSCXHWCM-CSKARUKUSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c1-13-11-16(22-27-13)18(24)21-19-20-15-7-9-23(12-17(15)28-19)29(25,26)10-8-14-5-3-2-4-6-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,21,24)/b10-8+.
What are the key properties of 5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90530670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).