N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C16H16N6OS — CID 165129965

IUPACN-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C2CC2)nc1C1CC1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C16H16N6OS/c23-15(13-8-24-16(20-13)10-5-17-18-6-10)19-12-7-22(11-3-4-11)21-14(12)9-1-2-9/h5-9,11H,1-4H2,(H,17,18)(H,19,23)
InChIKeyMYEYYGWUKUPOEW-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.19
Rot. Bonds5

About N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165129965) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165129965
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C2CC2)nc1C1CC1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C16H16N6OS/c23-15(13-8-24-16(20-13)10-5-17-18-6-10)19-12-7-22(11-3-4-11)21-14(12)9-1-2-9/h5-9,11H,1-4H2,(H,17,18)(H,19,23)
InChIKeyMYEYYGWUKUPOEW-UHFFFAOYSA-N
XLogP3.19
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 145176661
N-[1-[(1R,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638714
N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638686
N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;ethane;ethanol
CID 156646173
N-[1-(1-cyclopropylethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130029
N-[1-(oxolan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638589
N-(3-cyano-1-methylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638741
N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 171600710
benzenesulfonic acid;N-[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 175729353
N-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129914
N-[1-[(1S,3R)-3-ethoxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid
CID 122638764
N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967892

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165129965) is N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cn(C2CC2)nc1C1CC1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MYEYYGWUKUPOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-15(13-8-24-16(20-13)10-5-17-18-6-10)19-12-7-22(11-3-4-11)21-14(12)9-1-2-9/h5-9,11H,1-4H2,(H,17,18)(H,19,23).
What are the key properties of N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).