2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C20H15N3O2S — CID 5085744

IUPAC2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H15N3O2S/c1-13-6-8-15(9-7-13)22-19-16(18(24)23-20-21-10-11-26-20)12-14-4-2-3-5-17(14)25-19/h2-12H,1H3,(H,21,23,24)/b22-19-
InChIKeyDZUNCNJSDWAIPS-QOCHGBHMSA-N
MW361.43 g/mol
LogP4.68
Rot. Bonds3

About 2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 5085744) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID5085744
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H15N3O2S/c1-13-6-8-15(9-7-13)22-19-16(18(24)23-20-21-10-11-26-20)12-14-4-2-3-5-17(14)25-19/h2-12H,1H3,(H,21,23,24)/b22-19-
InChIKeyDZUNCNJSDWAIPS-QOCHGBHMSA-N
XLogP4.68
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylsulfanylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367697
2-(4-chloro-3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367699
2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367687
2-(5-chloro-2-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367701
N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367685
2-(3-methylphenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4050937
2-(3,4-dimethylphenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4051011
2-(4-ethylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367761
2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631679
N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
2-(3-chlorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631655
7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631666

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 5085744) is 2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is DZUNCNJSDWAIPS-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-13-6-8-15(9-7-13)22-19-16(18(24)23-20-21-10-11-26-20)12-14-4-2-3-5-17(14)25-19/h2-12H,1H3,(H,21,23,24)/b22-19-.
What are the key properties of 2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 5085744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).