N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide

C18H15N5OS2 — CID 121022412

IUPACN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide
SMILESCn1nccc1-c1cncc(CNC(=O)c2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C18H15N5OS2/c1-23-15(4-5-21-23)13-7-12(8-19-10-13)9-20-17(24)18-22-14(11-26-18)16-3-2-6-25-16/h2-8,10-11H,9H2,1H3,(H,20,24)
InChIKeyWZCAJQPAUMDXGW-UHFFFAOYSA-N
MW381.49 g/mol
LogP3.60
Rot. Bonds5

About N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide

N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 121022412) has the molecular formula C18H15N5OS2 and a molecular weight of 381.49 g/mol. Its IUPAC name is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide
PubChem CID121022412
Molecular FormulaC18H15N5OS2
Molecular Weight381.49 g/mol
Exact Mass381.07
IUPAC NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide
SMILESCn1nccc1-c1cncc(CNC(=O)c2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C18H15N5OS2/c1-23-15(4-5-21-23)13-7-12(8-19-10-13)9-20-17(24)18-22-14(11-26-18)16-3-2-6-25-16/h2-8,10-11H,9H2,1H3,(H,20,24)
InChIKeyWZCAJQPAUMDXGW-UHFFFAOYSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide (CID 121022412) is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide is Cn1nccc1-c1cncc(CNC(=O)c2nc(-c3cccs3)cs2)c1.
What is the InChIKey of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is WZCAJQPAUMDXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS2/c1-23-15(4-5-21-23)13-7-12(8-19-10-13)9-20-17(24)18-22-14(11-26-18)16-3-2-6-25-16/h2-8,10-11H,9H2,1H3,(H,20,24).
What are the key properties of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide?
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 381.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-thiophen-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 121022412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).