2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

C14H20N4O2S — CID 71862191

IUPAC2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCCc1cc(NC(=O)c2sc(C(C)OC)nc2C)n[nH]1
InChIInChI=1S/C14H20N4O2S/c1-5-6-10-7-11(18-17-10)16-13(19)12-8(2)15-14(21-12)9(3)20-4/h7,9H,5-6H2,1-4H3,(H2,16,17,18,19)
InChIKeyXXMZQPNKRBTGDG-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.09
Rot. Bonds6

About 2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 71862191) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID71862191
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCCc1cc(NC(=O)c2sc(C(C)OC)nc2C)n[nH]1
InChIInChI=1S/C14H20N4O2S/c1-5-6-10-7-11(18-17-10)16-13(19)12-8(2)15-14(21-12)9(3)20-4/h7,9H,5-6H2,1-4H3,(H2,16,17,18,19)
InChIKeyXXMZQPNKRBTGDG-UHFFFAOYSA-N
XLogP3.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (CID 71862191) is 2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is CCCc1cc(NC(=O)c2sc(C(C)OC)nc2C)n[nH]1.
What is the InChIKey of 2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is XXMZQPNKRBTGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-5-6-10-7-11(18-17-10)16-13(19)12-8(2)15-14(21-12)9(3)20-4/h7,9H,5-6H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71862191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).