N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide

C13H14N2O2S — CID 1485671

IUPACN-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCN(C(=O)c1ccco1)c1nc2c(s1)CCCC2
InChIInChI=1S/C13H14N2O2S/c1-15(12(16)10-6-4-8-17-10)13-14-9-5-2-3-7-11(9)18-13/h4,6,8H,2-3,5,7H2,1H3
InChIKeyYIPVLOCSZQBOAJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.89
Rot. Bonds2

About N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 1485671) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID1485671
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCN(C(=O)c1ccco1)c1nc2c(s1)CCCC2
InChIInChI=1S/C13H14N2O2S/c1-15(12(16)10-6-4-8-17-10)13-14-9-5-2-3-7-11(9)18-13/h4,6,8H,2-3,5,7H2,1H3
InChIKeyYIPVLOCSZQBOAJ-UHFFFAOYSA-N
XLogP2.89
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 1485671) is N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide is CN(C(=O)c1ccco1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is YIPVLOCSZQBOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15(12(16)10-6-4-8-17-10)13-14-9-5-2-3-7-11(9)18-13/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 1485671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).