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

C16H16N2O2S — CID 2414029

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CN(C(=O)c1ccco1)c1nc2ccccc2s1
InChIInChI=1S/C16H16N2O2S/c1-11(2)10-18(15(19)13-7-5-9-20-13)16-17-12-6-3-4-8-14(12)21-16/h3-9,11H,10H2,1-2H3
InChIKeyXZIWTBQNZALXNW-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.19
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 2414029) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID2414029
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CN(C(=O)c1ccco1)c1nc2ccccc2s1
InChIInChI=1S/C16H16N2O2S/c1-11(2)10-18(15(19)13-7-5-9-20-13)16-17-12-6-3-4-8-14(12)21-16/h3-9,11H,10H2,1-2H3
InChIKeyXZIWTBQNZALXNW-UHFFFAOYSA-N
XLogP4.19
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.19
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)-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide (CID 2414029) is N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide is CC(C)CN(C(=O)c1ccco1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is XZIWTBQNZALXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11(2)10-18(15(19)13-7-5-9-20-13)16-17-12-6-3-4-8-14(12)21-16/h3-9,11H,10H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 4.19, 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)-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 2414029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).