N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide

C10H10BrN3OS — CID 126458636

IUPACN-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)Nc1ncc(Br)s1
InChIInChI=1S/C10H10BrN3OS/c11-8-7-12-10(16-8)13-9(15)3-6-14-4-1-2-5-14/h1-2,4-5,7H,3,6H2,(H,12,13,15)
InChIKeyKOTNJAJIWCSEOD-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.74
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide

N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide (PubChem CID 126458636) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
PubChem CID126458636
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)Nc1ncc(Br)s1
InChIInChI=1S/C10H10BrN3OS/c11-8-7-12-10(16-8)13-9(15)3-6-14-4-1-2-5-14/h1-2,4-5,7H,3,6H2,(H,12,13,15)
InChIKeyKOTNJAJIWCSEOD-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide (CID 126458636) is N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide is O=C(CCn1cccc1)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide?
The InChIKey is KOTNJAJIWCSEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c11-8-7-12-10(16-8)13-9(15)3-6-14-4-1-2-5-14/h1-2,4-5,7H,3,6H2,(H,12,13,15).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide?
N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide has a molecular weight of 300.18 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 126458636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).