2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide

C9H14BrN3OS — CID 79399138

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(Br)cs1
InChIInChI=1S/C9H14BrN3OS/c1-3-4-11-8(14)6(2)12-9-13-7(10)5-15-9/h5-6H,3-4H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyBBOZWKIWYXVYCO-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.23
Rot. Bonds5

About 2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide

2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide (PubChem CID 79399138) has the molecular formula C9H14BrN3OS and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide
PubChem CID79399138
Molecular FormulaC9H14BrN3OS
Molecular Weight292.20 g/mol
Exact Mass291.00
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(Br)cs1
InChIInChI=1S/C9H14BrN3OS/c1-3-4-11-8(14)6(2)12-9-13-7(10)5-15-9/h5-6H,3-4H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyBBOZWKIWYXVYCO-UHFFFAOYSA-N
XLogP2.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 83152529
2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 80575991
2-[(4-bromo-1,3-thiazol-2-yl)amino]propanoic acid
CID 79399326
methyl 2-[(4-bromo-1,3-thiazol-2-yl)amino]propanoate
CID 79398752
ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 80575699
6-[(4-bromo-1,3-thiazol-2-yl)amino]-2-methylheptanoic acid
CID 79399334
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 61478157
2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79143008
2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine
CID 79399915
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanamide
CID 61467738

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide (CID 79399138) is 2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nc(Br)cs1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The InChIKey is BBOZWKIWYXVYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3OS/c1-3-4-11-8(14)6(2)12-9-13-7(10)5-15-9/h5-6H,3-4H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide has a molecular weight of 292.20 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 79399138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).