N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide

C17H18N2O2S — CID 2111813

IUPACN-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)N(CC(C)C)c2nc3ccccc3s2)o1
InChIInChI=1S/C17H18N2O2S/c1-11(2)10-19(16(20)14-9-8-12(3)21-14)17-18-13-6-4-5-7-15(13)22-17/h4-9,11H,10H2,1-3H3
InChIKeyULKFPKRFXWOKHS-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.50
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide

N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 2111813) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID2111813
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)N(CC(C)C)c2nc3ccccc3s2)o1
InChIInChI=1S/C17H18N2O2S/c1-11(2)10-19(16(20)14-9-8-12(3)21-14)17-18-13-6-4-5-7-15(13)22-17/h4-9,11H,10H2,1-3H3
InChIKeyULKFPKRFXWOKHS-UHFFFAOYSA-N
XLogP4.50
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide (CID 2111813) is N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide is Cc1ccc(C(=O)N(CC(C)C)c2nc3ccccc3s2)o1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is ULKFPKRFXWOKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11(2)10-19(16(20)14-9-8-12(3)21-14)17-18-13-6-4-5-7-15(13)22-17/h4-9,11H,10H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 2111813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).