N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide

C16H18N4O2S2 — CID 70725637

IUPACN-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)c1cc(-c2ccc(C)s2)[nH]n1
InChIInChI=1S/C16H18N4O2S2/c1-11-3-4-14(24-11)12-9-13(19-18-12)16(21)20(6-7-22-2)10-15-17-5-8-23-15/h3-5,8-9H,6-7,10H2,1-2H3,(H,18,19)
InChIKeyXMBJODCSKRBQNE-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.19
Rot. Bonds7

About N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide

N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 70725637) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID70725637
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC NameN-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)c1cc(-c2ccc(C)s2)[nH]n1
InChIInChI=1S/C16H18N4O2S2/c1-11-3-4-14(24-11)12-9-13(19-18-12)16(21)20(6-7-22-2)10-15-17-5-8-23-15/h3-5,8-9H,6-7,10H2,1-2H3,(H,18,19)
InChIKeyXMBJODCSKRBQNE-UHFFFAOYSA-N
XLogP3.19
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 70725637) is N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide is COCCN(Cc1nccs1)C(=O)c1cc(-c2ccc(C)s2)[nH]n1.
What is the InChIKey of N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is XMBJODCSKRBQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-11-3-4-14(24-11)12-9-13(19-18-12)16(21)20(6-7-22-2)10-15-17-5-8-23-15/h3-5,8-9H,6-7,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70725637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).