2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C11H12BrN3S2 — CID 167971580

IUPAC2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCc1nnsc1CNC1CCc2sc(Br)cc21
InChIInChI=1S/C11H12BrN3S2/c1-6-10(17-15-14-6)5-13-8-2-3-9-7(8)4-11(12)16-9/h4,8,13H,2-3,5H2,1H3
InChIKeySMULZDMSQCOQNV-UHFFFAOYSA-N
MW330.28 g/mol
LogP3.45
Rot. Bonds3

About 2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 167971580) has the molecular formula C11H12BrN3S2 and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID167971580
Molecular FormulaC11H12BrN3S2
Molecular Weight330.28 g/mol
Exact Mass328.97
IUPAC Name2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCc1nnsc1CNC1CCc2sc(Br)cc21
InChIInChI=1S/C11H12BrN3S2/c1-6-10(17-15-14-6)5-13-8-2-3-9-7(8)4-11(12)16-9/h4,8,13H,2-3,5H2,1H3
InChIKeySMULZDMSQCOQNV-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine with MolForge

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Related Compounds

2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 130572660
2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 106369854
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252511
1-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-3-ethylpentan-2-ol
CID 106284632
2-bromo-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690177
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690491
2-chloro-N-[(5-methylthiophen-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252189
2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252291
3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]propanamide
CID 82686194
2-bromo-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687505
2-bromo-N-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690367
4-[[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]methyl]benzonitrile
CID 82689880

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 167971580) is 2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Cc1nnsc1CNC1CCc2sc(Br)cc21.
What is the InChIKey of 2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is SMULZDMSQCOQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S2/c1-6-10(17-15-14-6)5-13-8-2-3-9-7(8)4-11(12)16-9/h4,8,13H,2-3,5H2,1H3.
What are the key properties of 2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 330.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-methylthiadiazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 167971580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).