6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide

C14H10ClN3O3S2 — CID 39835237

IUPAC6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
SMILESCCSc1nsc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)n1
InChIInChI=1S/C14H10ClN3O3S2/c1-2-22-14-17-13(23-18-14)16-12(20)11-6-9(19)8-5-7(15)3-4-10(8)21-11/h3-6H,2H2,1H3,(H,16,17,18,20)
InChIKeyGNHJYTCSIPQSKF-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.66
Rot. Bonds4

About 6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide

6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide (PubChem CID 39835237) has the molecular formula C14H10ClN3O3S2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
PubChem CID39835237
Molecular FormulaC14H10ClN3O3S2
Molecular Weight367.84 g/mol
Exact Mass366.99
IUPAC Name6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
SMILESCCSc1nsc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)n1
InChIInChI=1S/C14H10ClN3O3S2/c1-2-22-14-17-13(23-18-14)16-12(20)11-6-9(19)8-5-7(15)3-4-10(8)21-11/h3-6H,2H2,1H3,(H,16,17,18,20)
InChIKeyGNHJYTCSIPQSKF-UHFFFAOYSA-N
XLogP3.66
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 39835207
N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835229
6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide
CID 9203867
6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
CID 9040132
6-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7-methyl-4-oxochromene-2-carboxamide
CID 4975440
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 9481083
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 17454491
6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4975352
6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide
CID 99585387
6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 35181653
1-[(6-chloro-4-oxochromene-2-carbonyl)amino]-3-(4-chlorophenyl)thiourea
CID 9317388

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide (CID 39835237) is 6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide is CCSc1nsc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)n1.
What is the InChIKey of 6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide?
The InChIKey is GNHJYTCSIPQSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S2/c1-2-22-14-17-13(23-18-14)16-12(20)11-6-9(19)8-5-7(15)3-4-10(8)21-11/h3-6H,2H2,1H3,(H,16,17,18,20).
What are the key properties of 6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide?
6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 39835237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).