N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide

C14H12N2O3S — CID 136579823

IUPACN-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1csc(C2CC2)n1
InChIInChI=1S/C14H12N2O3S/c17-13(10-6-20-14(16-10)8-1-2-8)15-9-3-4-11-12(5-9)19-7-18-11/h3-6,8H,1-2,7H2,(H,15,17)
InChIKeyVCIGIMZUWYZODM-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.00
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide

N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide (PubChem CID 136579823) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide
PubChem CID136579823
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1csc(C2CC2)n1
InChIInChI=1S/C14H12N2O3S/c17-13(10-6-20-14(16-10)8-1-2-8)15-9-3-4-11-12(5-9)19-7-18-11/h3-6,8H,1-2,7H2,(H,15,17)
InChIKeyVCIGIMZUWYZODM-UHFFFAOYSA-N
XLogP3.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide (CID 136579823) is N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1csc(C2CC2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide?
The InChIKey is VCIGIMZUWYZODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-13(10-6-20-14(16-10)8-1-2-8)15-9-3-4-11-12(5-9)19-7-18-11/h3-6,8H,1-2,7H2,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136579823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).