5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide

C12H11BrN2O2S — CID 110742645

IUPAC5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C12H11BrN2O2S/c13-10-4-3-9(17-10)12(16)15(8-1-2-8)7-11-14-5-6-18-11/h3-6,8H,1-2,7H2
InChIKeyFSVOYICHZYTZGG-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.30
Rot. Bonds4

About 5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide

5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide (PubChem CID 110742645) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide
PubChem CID110742645
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C12H11BrN2O2S/c13-10-4-3-9(17-10)12(16)15(8-1-2-8)7-11-14-5-6-18-11/h3-6,8H,1-2,7H2
InChIKeyFSVOYICHZYTZGG-UHFFFAOYSA-N
XLogP3.30
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide (CID 110742645) is 5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide is O=C(c1ccc(Br)o1)N(Cc1nccs1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide?
The InChIKey is FSVOYICHZYTZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c13-10-4-3-9(17-10)12(16)15(8-1-2-8)7-11-14-5-6-18-11/h3-6,8H,1-2,7H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide?
5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide has a molecular weight of 327.20 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 110742645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).