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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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).