(3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine

C11H14BrN3S2 — CID 105172943

IUPAC(3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine
SMILESCC(C)(C)c1nnsc1C(N)c1sccc1Br
InChIInChI=1S/C11H14BrN3S2/c1-11(2,3)10-9(17-15-14-10)7(13)8-6(12)4-5-16-8/h4-5,7H,13H2,1-3H3
InChIKeyOGBVEBPOMLPZOG-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.71
Rot. Bonds2

About (3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine

(3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine (PubChem CID 105172943) has the molecular formula C11H14BrN3S2 and a molecular weight of 332.29 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine
PubChem CID105172943
Molecular FormulaC11H14BrN3S2
Molecular Weight332.29 g/mol
Exact Mass330.98
IUPAC Name(3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine
SMILESCC(C)(C)c1nnsc1C(N)c1sccc1Br
InChIInChI=1S/C11H14BrN3S2/c1-11(2,3)10-9(17-15-14-10)7(13)8-6(12)4-5-16-8/h4-5,7H,13H2,1-3H3
InChIKeyOGBVEBPOMLPZOG-UHFFFAOYSA-N
XLogP3.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 105166663
(3-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 106647587
(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 55240105
(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine
CID 105172942
2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105110790
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethoxyphenyl)methanamine
CID 105141183
(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105173000
(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105188050
(4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine
CID 105140754
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine (CID 105172943) is (3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine is CC(C)(C)c1nnsc1C(N)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine?
The InChIKey is OGBVEBPOMLPZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S2/c1-11(2,3)10-9(17-15-14-10)7(13)8-6(12)4-5-16-8/h4-5,7H,13H2,1-3H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine?
(3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine has a molecular weight of 332.29 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105172943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).