N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide

C15H18N2O2S — CID 42866037

IUPACN,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(-c2cccc(OC)c2)n1
InChIInChI=1S/C15H18N2O2S/c1-4-17(5-2)15(18)13-10-20-14(16-13)11-7-6-8-12(9-11)19-3/h6-10H,4-5H2,1-3H3
InChIKeyXHLPWESAVICTKL-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.30
Rot. Bonds5

About N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide

N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 42866037) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID42866037
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(-c2cccc(OC)c2)n1
InChIInChI=1S/C15H18N2O2S/c1-4-17(5-2)15(18)13-10-20-14(16-13)11-7-6-8-12(9-11)19-3/h6-10H,4-5H2,1-3H3
InChIKeyXHLPWESAVICTKL-UHFFFAOYSA-N
XLogP3.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066531
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348
2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686120
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 42866055
N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 86921294
(Z)-3-amino-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile
CID 24587652
2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27787175
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl] ethanesulfonate
CID 174970309
2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 2117534
2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119813202
N-methyl-2-[3-[(3-methylphenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068053

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 42866037) is N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1csc(-c2cccc(OC)c2)n1.
What is the InChIKey of N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XHLPWESAVICTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-17(5-2)15(18)13-10-20-14(16-13)11-7-6-8-12(9-11)19-3/h6-10H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42866037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).