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

C12H15BrN2S2 — CID 116884831

IUPAC3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(-c2cc(Br)cs2)sc1CC(C)CN
InChIInChI=1S/C12H15BrN2S2/c1-7(5-14)3-10-8(2)15-12(17-10)11-4-9(13)6-16-11/h4,6-7H,3,5,14H2,1-2H3
InChIKeyCOCDFOCUBWGWJA-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.08
Rot. Bonds4

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

3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 116884831) has the molecular formula C12H15BrN2S2 and a molecular weight of 331.30 g/mol. Its IUPAC name is 3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine
PubChem CID116884831
Molecular FormulaC12H15BrN2S2
Molecular Weight331.30 g/mol
Exact Mass329.99
IUPAC Name3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(-c2cc(Br)cs2)sc1CC(C)CN
InChIInChI=1S/C12H15BrN2S2/c1-7(5-14)3-10-8(2)15-12(17-10)11-4-9(13)6-16-11/h4,6-7H,3,5,14H2,1-2H3
InChIKeyCOCDFOCUBWGWJA-UHFFFAOYSA-N
XLogP4.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884597
[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 116885720
2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64662294
3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylpropan-1-amine
CID 116884822
2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 116885499
2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole
CID 116888006
ethyl 2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116887456
1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 47302510
N-[[2-(4-bromothiophen-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841657
N-[[2-(4-bromothiophen-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364174
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 107354708
2-(4-bromothiophen-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359852

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine (CID 116884831) is 3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine is Cc1nc(-c2cc(Br)cs2)sc1CC(C)CN.
What is the InChIKey of 3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine?
The InChIKey is COCDFOCUBWGWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2S2/c1-7(5-14)3-10-8(2)15-12(17-10)11-4-9(13)6-16-11/h4,6-7H,3,5,14H2,1-2H3.
What are the key properties of 3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine?
3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine has a molecular weight of 331.30 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116884831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).