2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide

C14H17N3O4S — CID 75446135

IUPAC2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide
SMILESCOc1cc(CNc2ncc(C(N)=O)s2)cc(OC)c1OC
InChIInChI=1S/C14H17N3O4S/c1-19-9-4-8(5-10(20-2)12(9)21-3)6-16-14-17-7-11(22-14)13(15)18/h4-5,7H,6H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyRCWVESLRQVYLSD-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.88
Rot. Bonds7

About 2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide

2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide (PubChem CID 75446135) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide
PubChem CID75446135
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide
SMILESCOc1cc(CNc2ncc(C(N)=O)s2)cc(OC)c1OC
InChIInChI=1S/C14H17N3O4S/c1-19-9-4-8(5-10(20-2)12(9)21-3)6-16-14-17-7-11(22-14)13(15)18/h4-5,7H,6H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyRCWVESLRQVYLSD-UHFFFAOYSA-N
XLogP1.88
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide (CID 75446135) is 2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide is COc1cc(CNc2ncc(C(N)=O)s2)cc(OC)c1OC.
What is the InChIKey of 2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is RCWVESLRQVYLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-19-9-4-8(5-10(20-2)12(9)21-3)6-16-14-17-7-11(22-14)13(15)18/h4-5,7H,6H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide?
2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trimethoxyphenyl)methylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75446135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).