2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine

C11H15N3S3 — CID 62576393

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1nnc(SC(C)CNCc2cccs2)s1
InChIInChI=1S/C11H15N3S3/c1-8(16-11-14-13-9(2)17-11)6-12-7-10-4-3-5-15-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyCGNSZGCXKIIVDB-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.18
Rot. Bonds6

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 62576393) has the molecular formula C11H15N3S3 and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID62576393
Molecular FormulaC11H15N3S3
Molecular Weight285.46 g/mol
Exact Mass285.04
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1nnc(SC(C)CNCc2cccs2)s1
InChIInChI=1S/C11H15N3S3/c1-8(16-11-14-13-9(2)17-11)6-12-7-10-4-3-5-15-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyCGNSZGCXKIIVDB-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine (CID 62576393) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine is Cc1nnc(SC(C)CNCc2cccs2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is CGNSZGCXKIIVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S3/c1-8(16-11-14-13-9(2)17-11)6-12-7-10-4-3-5-15-10/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62576393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).