N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

C13H14N2O2S — CID 75389278

IUPACN-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1cscn1
InChIInChI=1S/C13H14N2O2S/c1-3-17-12-7-5-4-6-11(12)15(2)13(16)10-8-18-9-14-10/h4-9H,3H2,1-2H3
InChIKeyWONUWIWQLDWPJR-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.82
Rot. Bonds4

About N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 75389278) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID75389278
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1cscn1
InChIInChI=1S/C13H14N2O2S/c1-3-17-12-7-5-4-6-11(12)15(2)13(16)10-8-18-9-14-10/h4-9H,3H2,1-2H3
InChIKeyWONUWIWQLDWPJR-UHFFFAOYSA-N
XLogP2.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiazol-4-ylmethyl}-pyrrolidin-2-one
CID 10047430
1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiazol-4-ylmethyl}-piperidin-2-one
CID 10342554
Piperazine, 1-(2-ethoxyphenyl)-4-(2-((4-methyl-5-thiazolyl)oxy)ethyl)-, trihydrochloride
CID 3078056
Piperazine, 1-(2-methoxyphenyl)-4-(2-((4-methyl-5-thiazolyl)oxy)ethyl)-, trihydrochloride
CID 3078062
Piperazine, 1-(2-((4-methyl-5-thiazolyl)oxy)ethyl)-4-(2-propoxyphenyl)-, monohydrochloride
CID 3078074
[2-[(3-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 24712460
[2-[(2-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 24712818
[3-[4-(2-Methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 24791310
1-(2-Methoxyphenyl)-4-{1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinyl}piperazine
CID 24817720
2-(1,5-Dimethyl-1H-pyrrol-2-YL)-N-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 53037081
2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 56810315
1-(3-Methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 71869124

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 75389278) is N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is CCOc1ccccc1N(C)C(=O)c1cscn1.
What is the InChIKey of N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WONUWIWQLDWPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-17-12-7-5-4-6-11(12)15(2)13(16)10-8-18-9-14-10/h4-9H,3H2,1-2H3.
What are the key properties of N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75389278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).