(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine

C7H6BrN3S2 — CID 105172942

IUPAC(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine
SMILESNC(c1csnn1)c1sccc1Br
InChIInChI=1S/C7H6BrN3S2/c8-4-1-2-12-7(4)6(9)5-3-13-11-10-5/h1-3,6H,9H2
InChIKeyHCOZFQDJAQYNSC-UHFFFAOYSA-N
MW276.18 g/mol
LogP2.41
Rot. Bonds2

About (3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine

(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine (PubChem CID 105172942) has the molecular formula C7H6BrN3S2 and a molecular weight of 276.18 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine
PubChem CID105172942
Molecular FormulaC7H6BrN3S2
Molecular Weight276.18 g/mol
Exact Mass274.92
IUPAC Name(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine
SMILESNC(c1csnn1)c1sccc1Br
InChIInChI=1S/C7H6BrN3S2/c8-4-1-2-12-7(4)6(9)5-3-13-11-10-5/h1-3,6H,9H2
InChIKeyHCOZFQDJAQYNSC-UHFFFAOYSA-N
XLogP2.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine
CID 105327833
(3-bromothiophen-2-yl)-(5-bromothiophen-2-yl)methanamine
CID 63798269
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950
(3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 105172943
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530329
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105139402
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
(3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80534984
(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105173000
(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 55240105

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine (CID 105172942) is (3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine is NC(c1csnn1)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine?
The InChIKey is HCOZFQDJAQYNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S2/c8-4-1-2-12-7(4)6(9)5-3-13-11-10-5/h1-3,6H,9H2.
What are the key properties of (3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine?
(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine has a molecular weight of 276.18 g/mol, XLogP of 2.41, 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)-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105172942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).