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

C8H12BrN3OS — CID 106277959

IUPAC3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc(Br)cs1)C(N)=O
InChIInChI=1S/C8H12BrN3OS/c1-8(2,6(10)13)4-11-7-12-5(9)3-14-7/h3H,4H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeyZNMKFWCJARVXDC-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.83
Rot. Bonds4

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

3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106277959) has the molecular formula C8H12BrN3OS and a molecular weight of 278.18 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide
PubChem CID106277959
Molecular FormulaC8H12BrN3OS
Molecular Weight278.18 g/mol
Exact Mass276.99
IUPAC Name3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc(Br)cs1)C(N)=O
InChIInChI=1S/C8H12BrN3OS/c1-8(2,6(10)13)4-11-7-12-5(9)3-14-7/h3H,4H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeyZNMKFWCJARVXDC-UHFFFAOYSA-N
XLogP1.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(4-bromo-1,3-thiazol-2-yl)-2-methylpropane-1,2-diamine
CID 115303713
2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide
CID 106278171
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133371380
N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384335
methyl 2-[(4-bromo-1,3-thiazol-2-yl)amino]propanoate
CID 79398752
4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine
CID 130692959
2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-ethylbutanoic acid
CID 79806488
1-[2-[(4-bromo-1,3-thiazol-2-yl)amino]ethylamino]propan-2-ol
CID 104594238
2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]pentanoic acid
CID 79398970
3-[(4-bromo-1,3-thiazol-2-yl)amino]propan-1-ol
CID 79399606
6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid
CID 79400565
1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide
CID 131097829

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide (CID 106277959) is 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1nc(Br)cs1)C(N)=O.
What is the InChIKey of 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is ZNMKFWCJARVXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3OS/c1-8(2,6(10)13)4-11-7-12-5(9)3-14-7/h3H,4H2,1-2H3,(H2,10,13)(H,11,12).
What are the key properties of 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide?
3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 278.18 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106277959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).