2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C16H19N3O4S — CID 897375

IUPAC2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1OC
InChIInChI=1S/C16H19N3O4S/c1-9-13(15(21)19(2)3)24-16(17-9)18-14(20)10-6-7-11(22-4)12(8-10)23-5/h6-8H,1-5H3,(H,17,18,20)
InChIKeyJUPUHXSAEJUNCO-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.42
Rot. Bonds5

About 2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 897375) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID897375
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1OC
InChIInChI=1S/C16H19N3O4S/c1-9-13(15(21)19(2)3)24-16(17-9)18-14(20)10-6-7-11(22-4)12(8-10)23-5/h6-8H,1-5H3,(H,17,18,20)
InChIKeyJUPUHXSAEJUNCO-UHFFFAOYSA-N
XLogP2.42
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 897375) is 2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is COc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is JUPUHXSAEJUNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-9-13(15(21)19(2)3)24-16(17-9)18-14(20)10-6-7-11(22-4)12(8-10)23-5/h6-8H,1-5H3,(H,17,18,20).
What are the key properties of 2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 897375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).