N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C14H16N2O2S — CID 26734258

IUPACN-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sc(C)nc1C
InChIInChI=1S/C14H16N2O2S/c1-9-13(19-10(2)16-9)14(17)15-8-11-6-4-5-7-12(11)18-3/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyCBNOOKZGXHBGDV-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.70
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 26734258) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID26734258
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sc(C)nc1C
InChIInChI=1S/C14H16N2O2S/c1-9-13(19-10(2)16-9)14(17)15-8-11-6-4-5-7-12(11)18-3/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyCBNOOKZGXHBGDV-UHFFFAOYSA-N
XLogP2.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676639
N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084292
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944961
N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 71802921
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387463
2,4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 86986197
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91821697
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid
CID 154795566
2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628423
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 64539293
N-[(2-methoxyphenyl)methyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134343

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 26734258) is N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is COc1ccccc1CNC(=O)c1sc(C)nc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is CBNOOKZGXHBGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-13(19-10(2)16-9)14(17)15-8-11-6-4-5-7-12(11)18-3/h4-7H,8H2,1-3H3,(H,15,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 26734258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).