2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine

C11H13BrN2S2 — CID 116867951

IUPAC2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc(-c2ccc(Br)s2)cs1
InChIInChI=1S/C11H13BrN2S2/c1-11(2,13-3)10-14-7(6-15-10)8-4-5-9(12)16-8/h4-6,13H,1-3H3
InChIKeyMTAGRNVLEPANBV-UHFFFAOYSA-N
MW317.28 g/mol
LogP4.09
Rot. Bonds3

About 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine

2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine (PubChem CID 116867951) has the molecular formula C11H13BrN2S2 and a molecular weight of 317.28 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
PubChem CID116867951
Molecular FormulaC11H13BrN2S2
Molecular Weight317.28 g/mol
Exact Mass315.97
IUPAC Name2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc(-c2ccc(Br)s2)cs1
InChIInChI=1S/C11H13BrN2S2/c1-11(2,13-3)10-14-7(6-15-10)8-4-5-9(12)16-8/h4-6,13H,1-3H3
InChIKeyMTAGRNVLEPANBV-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
CID 116867953
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine
CID 116867966
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine
CID 116967544
1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652862
2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888095
5-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356153
2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 116884511
[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol
CID 63346605
N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116865432
3-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzoic acid
CID 63540780
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865454
1-[5-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867640

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine (CID 116867951) is 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine is CNC(C)(C)c1nc(-c2ccc(Br)s2)cs1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The InChIKey is MTAGRNVLEPANBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S2/c1-11(2,13-3)10-14-7(6-15-10)8-4-5-9(12)16-8/h4-6,13H,1-3H3.
What are the key properties of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine has a molecular weight of 317.28 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116867951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).