N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide

C19H18N4O3S — CID 71797369

IUPACN-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
SMILESCOCCn1nc(CNC(=O)c2nc3ccccc3s2)cc1-c1ccco1
InChIInChI=1S/C19H18N4O3S/c1-25-10-8-23-15(16-6-4-9-26-16)11-13(22-23)12-20-18(24)19-21-14-5-2-3-7-17(14)27-19/h2-7,9,11H,8,10,12H2,1H3,(H,20,24)
InChIKeyDCXQMMSTGZBFPD-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.33
Rot. Bonds7

About N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide

N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 71797369) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID71797369
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
SMILESCOCCn1nc(CNC(=O)c2nc3ccccc3s2)cc1-c1ccco1
InChIInChI=1S/C19H18N4O3S/c1-25-10-8-23-15(16-6-4-9-26-16)11-13(22-23)12-20-18(24)19-21-14-5-2-3-7-17(14)27-19/h2-7,9,11H,8,10,12H2,1H3,(H,20,24)
InChIKeyDCXQMMSTGZBFPD-UHFFFAOYSA-N
XLogP3.33
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide (CID 71797369) is N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide is COCCn1nc(CNC(=O)c2nc3ccccc3s2)cc1-c1ccco1.
What is the InChIKey of N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is DCXQMMSTGZBFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-25-10-8-23-15(16-6-4-9-26-16)11-13(22-23)12-20-18(24)19-21-14-5-2-3-7-17(14)27-19/h2-7,9,11H,8,10,12H2,1H3,(H,20,24).
What are the key properties of N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide?
N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 71797369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).