4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide

C15H17N3O2S — CID 126827825

IUPAC4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide
SMILESCCc1csc(C(C)NC(=O)c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C15H17N3O2S/c1-3-12-8-21-15(18-12)9(2)17-14(20)11-6-4-10(5-7-11)13(16)19/h4-9H,3H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyOYWQTMWKQREISQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.30
Rot. Bonds5

About 4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide

4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 126827825) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide
PubChem CID126827825
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide
SMILESCCc1csc(C(C)NC(=O)c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C15H17N3O2S/c1-3-12-8-21-15(18-12)9(2)17-14(20)11-6-4-10(5-7-11)13(16)19/h4-9H,3H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyOYWQTMWKQREISQ-UHFFFAOYSA-N
XLogP2.30
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
2-[1-[[4-(aminomethyl)benzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379052
3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103956894
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154832427
1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
CID 45179322
N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 91664550
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide
CID 63022253
3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide
CID 119121660
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide (CID 126827825) is 4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide is CCc1csc(C(C)NC(=O)c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is OYWQTMWKQREISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-12-8-21-15(18-12)9(2)17-14(20)11-6-4-10(5-7-11)13(16)19/h4-9H,3H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide?
4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 126827825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).