1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine

C13H17BrN2S2 — CID 78943718

IUPAC1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCC(C)(C)c1csc(CNCc2ccc(Br)s2)n1
InChIInChI=1S/C13H17BrN2S2/c1-13(2,3)10-8-17-12(16-10)7-15-6-9-4-5-11(14)18-9/h4-5,8,15H,6-7H2,1-3H3
InChIKeyYLUBZPZDSZEGBG-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.55
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine

1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 78943718) has the molecular formula C13H17BrN2S2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID78943718
Molecular FormulaC13H17BrN2S2
Molecular Weight345.33 g/mol
Exact Mass344.00
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCC(C)(C)c1csc(CNCc2ccc(Br)s2)n1
InChIInChI=1S/C13H17BrN2S2/c1-13(2,3)10-8-17-12(16-10)7-15-6-9-4-5-11(14)18-9/h4-5,8,15H,6-7H2,1-3H3
InChIKeyYLUBZPZDSZEGBG-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 78943713
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 78943710
1-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615613
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
1-(5-bromothiophen-2-yl)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55138618
4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380837
N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
CID 79256811
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-iodopropan-1-amine
CID 114503717
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 79816956
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-chloropentan-1-amine
CID 107319889
2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111617275

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine (CID 78943718) is 1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine is CC(C)(C)c1csc(CNCc2ccc(Br)s2)n1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is YLUBZPZDSZEGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2S2/c1-13(2,3)10-8-17-12(16-10)7-15-6-9-4-5-11(14)18-9/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 345.33 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 78943718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).