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

C18H21N5O2S — CID 58416117

IUPACN-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
SMILESCCC(COC)NC(=O)n1ccc(-c2sc(-c3cccnc3)nc2C)n1
InChIInChI=1S/C18H21N5O2S/c1-4-14(11-25-3)21-18(24)23-9-7-15(22-23)16-12(2)20-17(26-16)13-6-5-8-19-10-13/h5-10,14H,4,11H2,1-3H3,(H,21,24)
InChIKeyFGMUSDZPMZUQSA-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.36
Rot. Bonds6

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

N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide (PubChem CID 58416117) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
PubChem CID58416117
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
SMILESCCC(COC)NC(=O)n1ccc(-c2sc(-c3cccnc3)nc2C)n1
InChIInChI=1S/C18H21N5O2S/c1-4-14(11-25-3)21-18(24)23-9-7-15(22-23)16-12(2)20-17(26-16)13-6-5-8-19-10-13/h5-10,14H,4,11H2,1-3H3,(H,21,24)
InChIKeyFGMUSDZPMZUQSA-UHFFFAOYSA-N
XLogP3.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide
CID 58416221
3-methyl-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazolo[5,4-b]pyridine-1-carboxamide
CID 123417106
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
5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 143925389
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
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
methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123621011
3-[1-(diethylamino)propan-2-yl]-N-(1-methoxybutan-2-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine-6-carboxamide
CID 102460945

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The IUPAC name of N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide (CID 58416117) is N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide is CCC(COC)NC(=O)n1ccc(-c2sc(-c3cccnc3)nc2C)n1.
What is the InChIKey of N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The InChIKey is FGMUSDZPMZUQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-4-14(11-25-3)21-18(24)23-9-7-15(22-23)16-12(2)20-17(26-16)13-6-5-8-19-10-13/h5-10,14H,4,11H2,1-3H3,(H,21,24).
What are the key properties of N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 58416117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).