N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide

C29H25N3O3S — CID 3143765

IUPACN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide
SMILESCCc1sc(NC(=O)c2cc3cccc(OC)c3o/c2=N\c2ccc(C)cc2)nc1-c1ccccc1
InChIInChI=1S/C29H25N3O3S/c1-4-24-25(19-9-6-5-7-10-19)31-29(36-24)32-27(33)22-17-20-11-8-12-23(34-3)26(20)35-28(22)30-21-15-13-18(2)14-16-21/h5-17H,4H2,1-3H3,(H,31,32,33)/b30-28-
InChIKeyJTWQRCYTQYWJRU-HYOGKJQXSA-N
MW495.60 g/mol
LogP6.92
Rot. Bonds6

About N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide

N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide (PubChem CID 3143765) has the molecular formula C29H25N3O3S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide
PubChem CID3143765
Molecular FormulaC29H25N3O3S
Molecular Weight495.60 g/mol
Exact Mass495.16
IUPAC NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide
SMILESCCc1sc(NC(=O)c2cc3cccc(OC)c3o/c2=N\c2ccc(C)cc2)nc1-c1ccccc1
InChIInChI=1S/C29H25N3O3S/c1-4-24-25(19-9-6-5-7-10-19)31-29(36-24)32-27(33)22-17-20-11-8-12-23(34-3)26(20)35-28(22)30-21-15-13-18(2)14-16-21/h5-17H,4H2,1-3H3,(H,31,32,33)/b30-28-
InChIKeyJTWQRCYTQYWJRU-HYOGKJQXSA-N
XLogP6.92
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.60
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(4-methoxyphenyl)iminochromene-3-carboxamide
CID 3143827
N-[5-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 3143844
N-[5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 3143791
8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide
CID 3144319
N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 3143836
8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide
CID 3993915
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 19226508
N-[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 3143800
2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367650
2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4050935
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide
CID 3885953

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide?
The IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide (CID 3143765) is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide is CCc1sc(NC(=O)c2cc3cccc(OC)c3o/c2=N\c2ccc(C)cc2)nc1-c1ccccc1.
What is the InChIKey of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide?
The InChIKey is JTWQRCYTQYWJRU-HYOGKJQXSA-N. The full InChI is InChI=1S/C29H25N3O3S/c1-4-24-25(19-9-6-5-7-10-19)31-29(36-24)32-27(33)22-17-20-11-8-12-23(34-3)26(20)35-28(22)30-21-15-13-18(2)14-16-21/h5-17H,4H2,1-3H3,(H,31,32,33)/b30-28-.
What are the key properties of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide?
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide has a molecular weight of 495.60 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 3143765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).