1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol

C10H18BrN3OS — CID 115769968

IUPAC1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol
SMILESCC(NCC(O)CN(C)C)c1ncc(Br)s1
InChIInChI=1S/C10H18BrN3OS/c1-7(10-13-5-9(11)16-10)12-4-8(15)6-14(2)3/h5,7-8,12,15H,4,6H2,1-3H3
InChIKeyONDQYFRSBJZPQE-UHFFFAOYSA-N
MW308.25 g/mol
LogP1.48
Rot. Bonds6

About 1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol

1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol (PubChem CID 115769968) has the molecular formula C10H18BrN3OS and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol
PubChem CID115769968
Molecular FormulaC10H18BrN3OS
Molecular Weight308.25 g/mol
Exact Mass307.04
IUPAC Name1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol
SMILESCC(NCC(O)CN(C)C)c1ncc(Br)s1
InChIInChI=1S/C10H18BrN3OS/c1-7(10-13-5-9(11)16-10)12-4-8(15)6-14(2)3/h5,7-8,12,15H,4,6H2,1-3H3
InChIKeyONDQYFRSBJZPQE-UHFFFAOYSA-N
XLogP1.48
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 115769910
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115769867
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-3-(dimethylamino)propan-2-ol
CID 81360198
1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
CID 115718069
(E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine
CID 115890167
1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115769999
(2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 103903010
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-ethoxybutan-1-amine
CID 115769832
1-(5-bromo-1,3-thiazol-2-yl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 115891542
2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104579964
2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol
CID 115920296
ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate
CID 103263521

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol (CID 115769968) is 1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol is CC(NCC(O)CN(C)C)c1ncc(Br)s1.
What is the InChIKey of 1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol?
The InChIKey is ONDQYFRSBJZPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3OS/c1-7(10-13-5-9(11)16-10)12-4-8(15)6-14(2)3/h5,7-8,12,15H,4,6H2,1-3H3.
What are the key properties of 1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol?
1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol has a molecular weight of 308.25 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 115769968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).