N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide

C16H20N2O3S — CID 110436445

IUPACN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2cscn2)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-16(2,9-17-15(19)12-8-22-10-18-12)11-5-6-13(20-3)14(7-11)21-4/h5-8,10H,9H2,1-4H3,(H,17,19)
InChIKeyKTPSZLOKVPGXIO-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.87
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide (PubChem CID 110436445) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
PubChem CID110436445
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2cscn2)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-16(2,9-17-15(19)12-8-22-10-18-12)11-5-6-13(20-3)14(7-11)21-4/h5-8,10H,9H2,1-4H3,(H,17,19)
InChIKeyKTPSZLOKVPGXIO-UHFFFAOYSA-N
XLogP2.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide
CID 110438508
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 110443382
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 110441966
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
CID 110445671
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 119945325
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591873
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
CID 110442244
1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119320138
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 91460435

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide (CID 110436445) is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide is COc1ccc(C(C)(C)CNC(=O)c2cscn2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KTPSZLOKVPGXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-16(2,9-17-15(19)12-8-22-10-18-12)11-5-6-13(20-3)14(7-11)21-4/h5-8,10H,9H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110436445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).