(2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide

C10H16BrN3OS — CID 103903010

IUPAC(2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
SMILESCC(N[C@H](C)C(=O)N(C)C)c1ncc(Br)s1
InChIInChI=1S/C10H16BrN3OS/c1-6(9-12-5-8(11)16-9)13-7(2)10(15)14(3)4/h5-7,13H,1-4H3/t6?,7-/m1/s1
InChIKeyAZHUUWXVIYXVES-COBSHVIPSA-N
MW306.23 g/mol
LogP2.03
Rot. Bonds4

About (2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide

(2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide (PubChem CID 103903010) has the molecular formula C10H16BrN3OS and a molecular weight of 306.23 g/mol. Its IUPAC name is (2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
PubChem CID103903010
Molecular FormulaC10H16BrN3OS
Molecular Weight306.23 g/mol
Exact Mass305.02
IUPAC Name(2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
SMILESCC(N[C@H](C)C(=O)N(C)C)c1ncc(Br)s1
InChIInChI=1S/C10H16BrN3OS/c1-6(9-12-5-8(11)16-9)13-7(2)10(15)14(3)4/h5-7,13H,1-4H3/t6?,7-/m1/s1
InChIKeyAZHUUWXVIYXVES-COBSHVIPSA-N
XLogP2.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 115769910
1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol
CID 115769968
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115770002
(2R)-N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]propanamide
CID 103914492
2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol
CID 115920296
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115769867
N,N-dimethyl-2-(propan-2-ylamino)propanamide
CID 43085810
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide
CID 103107430
N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide
CID 112696947
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline
CID 115921611
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine
CID 115921585
N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63990640

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide (CID 103903010) is (2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide is CC(N[C@H](C)C(=O)N(C)C)c1ncc(Br)s1.
What is the InChIKey of (2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide?
The InChIKey is AZHUUWXVIYXVES-COBSHVIPSA-N. The full InChI is InChI=1S/C10H16BrN3OS/c1-6(9-12-5-8(11)16-9)13-7(2)10(15)14(3)4/h5-7,13H,1-4H3/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide?
(2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide has a molecular weight of 306.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 103903010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).