2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide

C18H19N5O2S — CID 67240408

IUPAC2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3ccc(C4CNCCO4)cc3)cs2)cn1
InChIInChI=1S/C18H19N5O2S/c1-23-10-13(8-20-23)18-22-15(11-26-18)17(24)21-14-4-2-12(3-5-14)16-9-19-6-7-25-16/h2-5,8,10-11,16,19H,6-7,9H2,1H3,(H,21,24)
InChIKeyKUWDUDVLHGPRFV-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.46
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide

2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 67240408) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID67240408
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3ccc(C4CNCCO4)cc3)cs2)cn1
InChIInChI=1S/C18H19N5O2S/c1-23-10-13(8-20-23)18-22-15(11-26-18)17(24)21-14-4-2-12(3-5-14)16-9-19-6-7-25-16/h2-5,8,10-11,16,19H,6-7,9H2,1H3,(H,21,24)
InChIKeyKUWDUDVLHGPRFV-UHFFFAOYSA-N
XLogP2.46
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide (CID 67240408) is 2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)Nc3ccc(C4CNCCO4)cc3)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KUWDUDVLHGPRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-23-10-13(8-20-23)18-22-15(11-26-18)17(24)21-14-4-2-12(3-5-14)16-9-19-6-7-25-16/h2-5,8,10-11,16,19H,6-7,9H2,1H3,(H,21,24).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67240408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).