3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide

C19H23N5O2S — CID 58416221

IUPAC3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide
SMILESCCCOCC(C)NC(=O)n1ccc(-c2sc(-c3cccnc3)nc2C)n1
InChIInChI=1S/C19H23N5O2S/c1-4-10-26-12-13(2)21-19(25)24-9-7-16(23-24)17-14(3)22-18(27-17)15-6-5-8-20-11-15/h5-9,11,13H,4,10,12H2,1-3H3,(H,21,25)
InChIKeyGXMRKOGQUVGTQD-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.75
Rot. Bonds7

About 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide

3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide (PubChem CID 58416221) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide
PubChem CID58416221
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide
SMILESCCCOCC(C)NC(=O)n1ccc(-c2sc(-c3cccnc3)nc2C)n1
InChIInChI=1S/C19H23N5O2S/c1-4-10-26-12-13(2)21-19(25)24-9-7-16(23-24)17-14(3)22-18(27-17)15-6-5-8-20-11-15/h5-9,11,13H,4,10,12H2,1-3H3,(H,21,25)
InChIKeyGXMRKOGQUVGTQD-UHFFFAOYSA-N
XLogP3.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
CID 58416174
N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
CID 58416117
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 82032654
3-methyl-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazolo[5,4-b]pyridine-1-carboxamide
CID 123417106
5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 143925389
2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16916934
N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916887
N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916908
(E)-5-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-6,7-dihydropyrido[2,3-b]pyrazin-8-imine
CID 118081640
2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole
CID 58416084
N-[(2-chlorophenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916971

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide?
The IUPAC name of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide (CID 58416221) is 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide is CCCOCC(C)NC(=O)n1ccc(-c2sc(-c3cccnc3)nc2C)n1.
What is the InChIKey of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide?
The InChIKey is GXMRKOGQUVGTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-4-10-26-12-13(2)21-19(25)24-9-7-16(23-24)17-14(3)22-18(27-17)15-6-5-8-20-11-15/h5-9,11,13H,4,10,12H2,1-3H3,(H,21,25).
What are the key properties of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide?
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 58416221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).