1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

C11H14BrN3S2 — CID 105173067

IUPAC1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1sccc1Br)c1snnc1C(C)C
InChIInChI=1S/C11H14BrN3S2/c1-6(2)8-11(17-15-14-8)9(13-3)10-7(12)4-5-16-10/h4-6,9,13H,1-3H3
InChIKeyJNEMUTCIUOAYFD-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.79
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105173067) has the molecular formula C11H14BrN3S2 and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105173067
Molecular FormulaC11H14BrN3S2
Molecular Weight332.29 g/mol
Exact Mass330.98
IUPAC Name1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1sccc1Br)c1snnc1C(C)C
InChIInChI=1S/C11H14BrN3S2/c1-6(2)8-11(17-15-14-8)9(13-3)10-7(12)4-5-16-10/h4-6,9,13H,1-3H3
InChIKeyJNEMUTCIUOAYFD-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144852
1-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105173140
N-methyl-1-(4-methylthiadiazol-5-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 105166473
1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105172947
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 102653432
1-(3-bromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107976806
1-(3-bromothiophen-2-yl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018139
1-(3-bromothiophen-2-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025777
[(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine
CID 105327833
1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63798443
1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877700
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80530701

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105173067) is 1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is CNC(c1sccc1Br)c1snnc1C(C)C.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is JNEMUTCIUOAYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S2/c1-6(2)8-11(17-15-14-8)9(13-3)10-7(12)4-5-16-10/h4-6,9,13H,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 332.29 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105173067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).