2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide

C11H11BrN2O2S — CID 107091806

IUPAC2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide
SMILESCC(C)(NC(=O)c1ccoc1Br)c1nccs1
InChIInChI=1S/C11H11BrN2O2S/c1-11(2,10-13-4-6-17-10)14-9(15)7-3-5-16-8(7)12/h3-6H,1-2H3,(H,14,15)
InChIKeySNEPSMPIXJJQQG-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.16
Rot. Bonds3

About 2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide

2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide (PubChem CID 107091806) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide
PubChem CID107091806
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide
SMILESCC(C)(NC(=O)c1ccoc1Br)c1nccs1
InChIInChI=1S/C11H11BrN2O2S/c1-11(2,10-13-4-6-17-10)14-9(15)7-3-5-16-8(7)12/h3-6H,1-2H3,(H,14,15)
InChIKeySNEPSMPIXJJQQG-UHFFFAOYSA-N
XLogP3.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide (CID 107091806) is 2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide is CC(C)(NC(=O)c1ccoc1Br)c1nccs1.
What is the InChIKey of 2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide?
The InChIKey is SNEPSMPIXJJQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-11(2,10-13-4-6-17-10)14-9(15)7-3-5-16-8(7)12/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide?
2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide has a molecular weight of 315.19 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 107091806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).