2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

C18H24N2O4S — CID 48980632

IUPAC2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2sc(C(C)(C)C)nc2C)cc(OC)c1OC
InChIInChI=1S/C18H24N2O4S/c1-10-15(25-17(19-10)18(2,3)4)16(21)20-11-8-12(22-5)14(24-7)13(9-11)23-6/h8-9H,1-7H3,(H,20,21)
InChIKeyLYKOTTKVKHDPIG-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.03
Rot. Bonds5

About 2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 48980632) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID48980632
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2sc(C(C)(C)C)nc2C)cc(OC)c1OC
InChIInChI=1S/C18H24N2O4S/c1-10-15(25-17(19-10)18(2,3)4)16(21)20-11-8-12(22-5)14(24-7)13(9-11)23-6/h8-9H,1-7H3,(H,20,21)
InChIKeyLYKOTTKVKHDPIG-UHFFFAOYSA-N
XLogP4.03
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110676464
2-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 48982072
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
3-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylbenzoic acid
CID 119219452
2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 48980775
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519534
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid
CID 107208052
2-bromo-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 117087526
4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 52898221
4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 17095611
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide (CID 48980632) is 2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is COc1cc(NC(=O)c2sc(C(C)(C)C)nc2C)cc(OC)c1OC.
What is the InChIKey of 2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LYKOTTKVKHDPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-10-15(25-17(19-10)18(2,3)4)16(21)20-11-8-12(22-5)14(24-7)13(9-11)23-6/h8-9H,1-7H3,(H,20,21).
What are the key properties of 2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide?
2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48980632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).