N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C17H19N5O2S — CID 168858520

IUPACN-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNCCOCCNC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C17H19N5O2S/c18-6-8-24-9-7-19-16(23)15-12-25-17(21-15)13-10-20-22(11-13)14-4-2-1-3-5-14/h1-5,10-12H,6-9,18H2,(H,19,23)
InChIKeyAQQUEKIQOCASSN-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.70
Rot. Bonds8

About N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 168858520) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID168858520
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNCCOCCNC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C17H19N5O2S/c18-6-8-24-9-7-19-16(23)15-12-25-17(21-15)13-10-20-22(11-13)14-4-2-1-3-5-14/h1-5,10-12H,6-9,18H2,(H,19,23)
InChIKeyAQQUEKIQOCASSN-UHFFFAOYSA-N
XLogP1.70
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 176630308
N-(1-amino-4-methylpentan-2-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 119588329
2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119537526
N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56578206
N-[[(2R)-morpholin-2-yl]methyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858537
2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide
CID 135869459
N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86943521
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56576076
[3-(aminomethyl)pyrrolidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 119486756
N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858531
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56522308
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 168858520) is N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is NCCOCCNC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is AQQUEKIQOCASSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c18-6-8-24-9-7-19-16(23)15-12-25-17(21-15)13-10-20-22(11-13)14-4-2-1-3-5-14/h1-5,10-12H,6-9,18H2,(H,19,23).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 168858520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).