6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C20H14ClN3O3S — CID 5079977

IUPAC6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H14ClN3O3S/c1-26-15-5-3-14(4-6-15)23-19-16(18(25)24-20-22-8-9-28-20)11-12-10-13(21)2-7-17(12)27-19/h2-11H,1H3,(H,22,24,25)/b23-19-
InChIKeyGNYUATGGJKBJAJ-NMWGTECJSA-N
MW411.87 g/mol
LogP5.04
Rot. Bonds4

About 6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 5079977) has the molecular formula C20H14ClN3O3S and a molecular weight of 411.87 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID5079977
Molecular FormulaC20H14ClN3O3S
Molecular Weight411.87 g/mol
Exact Mass411.04
IUPAC Name6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H14ClN3O3S/c1-26-15-5-3-14(4-6-15)23-19-16(18(25)24-20-22-8-9-28-20)11-12-10-13(21)2-7-17(12)27-19/h2-11H,1H3,(H,22,24,25)/b23-19-
InChIKeyGNYUATGGJKBJAJ-NMWGTECJSA-N
XLogP5.04
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.87
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 5079977) is 6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1.
What is the InChIKey of 6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is GNYUATGGJKBJAJ-NMWGTECJSA-N. The full InChI is InChI=1S/C20H14ClN3O3S/c1-26-15-5-3-14(4-6-15)23-19-16(18(25)24-20-22-8-9-28-20)11-12-10-13(21)2-7-17(12)27-19/h2-11H,1H3,(H,22,24,25)/b23-19-.
What are the key properties of 6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 411.87 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 5079977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).