N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

C14H16N2OS — CID 63049222

IUPACN-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)c1cscn1
InChIInChI=1S/C14H16N2OS/c1-3-16(14(17)13-9-18-10-15-13)8-12-7-5-4-6-11(12)2/h4-7,9-10H,3,8H2,1-2H3
InChIKeyFSZKMZUIIFEVQX-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.11
Rot. Bonds4

About N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 63049222) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID63049222
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)c1cscn1
InChIInChI=1S/C14H16N2OS/c1-3-16(14(17)13-9-18-10-15-13)8-12-7-5-4-6-11(12)2/h4-7,9-10H,3,8H2,1-2H3
InChIKeyFSZKMZUIIFEVQX-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 80660747
4,5-dibromo-N-ethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 112725701
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 63036864
N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63048529
N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 78879649
N-benzyl-N-(2-bromoethyl)-1,3-thiazole-4-carboxamide
CID 80662159
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
CID 43587256
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42520313
3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 138044082
N-ethyl-2-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 112817397
N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60506788
4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 63049222) is N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is CCN(Cc1ccccc1C)C(=O)c1cscn1.
What is the InChIKey of N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FSZKMZUIIFEVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-16(14(17)13-9-18-10-15-13)8-12-7-5-4-6-11(12)2/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).