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

C16H15N3O3S2 — CID 34429881

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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