N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C16H18N6OS — CID 165130083

IUPACN-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCn1cc(-c2nc(C(=O)Nc3cnn(C4CCC4)c3)cs2)cn1
InChIInChI=1S/C16H18N6OS/c1-2-21-8-11(6-17-21)16-20-14(10-24-16)15(23)19-12-7-18-22(9-12)13-4-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,23)
InChIKeyBZAXHAWIKODIPP-UHFFFAOYSA-N
MW342.43 g/mol
LogP3.20
Rot. Bonds5

About N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165130083) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165130083
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCn1cc(-c2nc(C(=O)Nc3cnn(C4CCC4)c3)cs2)cn1
InChIInChI=1S/C16H18N6OS/c1-2-21-8-11(6-17-21)16-20-14(10-24-16)15(23)19-12-7-18-22(9-12)13-4-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,23)
InChIKeyBZAXHAWIKODIPP-UHFFFAOYSA-N
XLogP3.20
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165130083) is N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CCn1cc(-c2nc(C(=O)Nc3cnn(C4CCC4)c3)cs2)cn1.
What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BZAXHAWIKODIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-2-21-8-11(6-17-21)16-20-14(10-24-16)15(23)19-12-7-18-22(9-12)13-4-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,23).
What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165130083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).