N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide

C8H8BrN5OS — CID 60784810

IUPACN-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1ncc(Br)s1
InChIInChI=1S/C8H8BrN5OS/c9-6-5-10-8(16-6)12-7(15)1-3-14-4-2-11-13-14/h2,4-5H,1,3H2,(H,10,12,15)
InChIKeyJPNNZNIPXSOMLE-UHFFFAOYSA-N
MW302.16 g/mol
LogP1.53
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide

N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide (PubChem CID 60784810) has the molecular formula C8H8BrN5OS and a molecular weight of 302.16 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide
PubChem CID60784810
Molecular FormulaC8H8BrN5OS
Molecular Weight302.16 g/mol
Exact Mass300.96
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1ncc(Br)s1
InChIInChI=1S/C8H8BrN5OS/c9-6-5-10-8(16-6)12-7(15)1-3-14-4-2-11-13-14/h2,4-5H,1,3H2,(H,10,12,15)
InChIKeyJPNNZNIPXSOMLE-UHFFFAOYSA-N
XLogP1.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide (CID 60784810) is N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide?
The InChIKey is JPNNZNIPXSOMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5OS/c9-6-5-10-8(16-6)12-7(15)1-3-14-4-2-11-13-14/h2,4-5H,1,3H2,(H,10,12,15).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide?
N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide has a molecular weight of 302.16 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 60784810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).