N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C11H13N3OS — CID 43664089

IUPACN-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2NCc1csnn1
InChIInChI=1S/C11H13N3OS/c1-2-10(9-4-5-15-11(9)3-1)12-6-8-7-16-14-13-8/h4-5,7,10,12H,1-3,6H2
InChIKeyTXZMAGFQSYQJQS-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.30
Rot. Bonds3

About N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 43664089) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID43664089
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2NCc1csnn1
InChIInChI=1S/C11H13N3OS/c1-2-10(9-4-5-15-11(9)3-1)12-6-8-7-16-14-13-8/h4-5,7,10,12H,1-3,6H2
InChIKeyTXZMAGFQSYQJQS-UHFFFAOYSA-N
XLogP2.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 43664089) is N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is c1cc2c(o1)CCCC2NCc1csnn1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is TXZMAGFQSYQJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-10(9-4-5-15-11(9)3-1)12-6-8-7-16-14-13-8/h4-5,7,10,12H,1-3,6H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 235.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 43664089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).