N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C14H13N3O2S — CID 146186539

IUPACN-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3scnc3[nH]2)cc1
InChIInChI=1S/C14H13N3O2S/c1-2-19-10-5-3-9(4-6-10)16-14(18)11-7-12-13(17-11)15-8-20-12/h3-8,17H,2H2,1H3,(H,16,18)
InChIKeyINQCGYLJGZDZGN-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.28
Rot. Bonds4

About N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 146186539) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID146186539
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3scnc3[nH]2)cc1
InChIInChI=1S/C14H13N3O2S/c1-2-19-10-5-3-9(4-6-10)16-14(18)11-7-12-13(17-11)15-8-20-12/h3-8,17H,2H2,1H3,(H,16,18)
InChIKeyINQCGYLJGZDZGN-UHFFFAOYSA-N
XLogP3.28
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600672
N-(1-benzothiophen-5-yl)-4-ethoxybenzamide
CID 23796811
N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554403
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
CID 110696014
N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576776
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
N-(4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78949254
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 146186539) is N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is CCOc1ccc(NC(=O)c2cc3scnc3[nH]2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is INQCGYLJGZDZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-2-19-10-5-3-9(4-6-10)16-14(18)11-7-12-13(17-11)15-8-20-12/h3-8,17H,2H2,1H3,(H,16,18).
What are the key properties of N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 146186539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).