2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide

C16H15N3O3S2 — CID 34429881

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)/N=c3/sccn3C)cs2)cc1OC
InChIInChI=1S/C16H15N3O3S2/c1-19-6-7-23-16(19)18-14(20)11-9-24-15(17-11)10-4-5-12(21-2)13(8-10)22-3/h4-9H,1-3H3/b18-16+
InChIKeyAMPORRFHNSXACN-FBMGVBCBSA-N
MW361.45 g/mol
LogP2.97
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide (PubChem CID 34429881) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide
PubChem CID34429881
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)/N=c3/sccn3C)cs2)cc1OC
InChIInChI=1S/C16H15N3O3S2/c1-19-6-7-23-16(19)18-14(20)11-9-24-15(17-11)10-4-5-12(21-2)13(8-10)22-3/h4-9H,1-3H3/b18-16+
InChIKeyAMPORRFHNSXACN-FBMGVBCBSA-N
XLogP2.97
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbothioamide
CID 82515938
3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 38162531
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 43016811
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167873536
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 25484027
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-thiazole-4-carboxamide
CID 34429840
2-(3,4-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 8561370
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 166212983
2-(3,4-dimethoxyphenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 24502013
(2-oxo-2-piperidin-1-ylethyl) 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 33118572
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18293281

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide (CID 34429881) is 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)/N=c3/sccn3C)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide?
The InChIKey is AMPORRFHNSXACN-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-19-6-7-23-16(19)18-14(20)11-9-24-15(17-11)10-4-5-12(21-2)13(8-10)22-3/h4-9H,1-3H3/b18-16+.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 34429881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).