2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C14H17BrN2S2 — CID 62090771

IUPAC2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2nc(-c3cc(Br)cs3)sc21
InChIInChI=1S/C14H17BrN2S2/c1-2-6-16-10-4-3-5-11-13(10)19-14(17-11)12-7-9(15)8-18-12/h7-8,10,16H,2-6H2,1H3
InChIKeyULWXFXDKAOMXBR-UHFFFAOYSA-N
MW357.34 g/mol
LogP5.01
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62090771) has the molecular formula C14H17BrN2S2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62090771
Molecular FormulaC14H17BrN2S2
Molecular Weight357.34 g/mol
Exact Mass356.00
IUPAC Name2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2nc(-c3cc(Br)cs3)sc21
InChIInChI=1S/C14H17BrN2S2/c1-2-6-16-10-4-3-5-11-13(10)19-14(17-11)12-7-9(15)8-18-12/h7-8,10,16H,2-6H2,1H3
InChIKeyULWXFXDKAOMXBR-UHFFFAOYSA-N
XLogP5.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.34
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

1-(5-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine
CID 72127719
[2-(4-Bromothiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 116276663
1-[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116276876
N-[[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 116277090
N-[[2-(5-bromothiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 116277205
N-[[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116277254
N-[[2-(5-bromothiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116277342
N-[[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116277380
N-[[2-(5-bromothiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116277465
N-[[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116277503
N-[[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116277620
N-[[2-(4-bromothiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116277698

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62090771) is 2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCCNC1CCCc2nc(-c3cc(Br)cs3)sc21.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is ULWXFXDKAOMXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S2/c1-2-6-16-10-4-3-5-11-13(10)19-14(17-11)12-7-9(15)8-18-12/h7-8,10,16H,2-6H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 357.34 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62090771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).