N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide

C16H15N3O3S2 — CID 39835207

IUPACN-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCCSc1nsc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)n1
InChIInChI=1S/C16H15N3O3S2/c1-4-23-16-18-15(24-19-16)17-14(21)12-7-11(20)10-6-5-8(2)9(3)13(10)22-12/h5-7H,4H2,1-3H3,(H,17,18,19,21)
InChIKeyGWPGMACMTDCKST-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.63
Rot. Bonds4

About N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide

N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 39835207) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide
PubChem CID39835207
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCCSc1nsc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)n1
InChIInChI=1S/C16H15N3O3S2/c1-4-23-16-18-15(24-19-16)17-14(21)12-7-11(20)10-6-5-8(2)9(3)13(10)22-12/h5-7H,4H2,1-3H3,(H,17,18,19,21)
InChIKeyGWPGMACMTDCKST-UHFFFAOYSA-N
XLogP3.63
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835237
N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835229
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 45155049
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 35576650
7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide
CID 35131763
2-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830554
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 26834943
6-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7-methyl-4-oxochromene-2-carboxamide
CID 4975440
pentakis(7-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide);N,N-dimethylformamide
CID 175653197
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxoisochromene-3-carboxamide
CID 4911376
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 40965347

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide (CID 39835207) is N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide is CCSc1nsc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)n1.
What is the InChIKey of N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is GWPGMACMTDCKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-4-23-16-18-15(24-19-16)17-14(21)12-7-11(20)10-6-5-8(2)9(3)13(10)22-12/h5-7H,4H2,1-3H3,(H,17,18,19,21).
What are the key properties of N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide?
N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 39835207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).