N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine

C11H15N3OS2 — CID 80614537

IUPACN-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(COCc2cccs2)s1
InChIInChI=1S/C11H15N3OS2/c1-2-5-12-11-14-13-10(17-11)8-15-7-9-4-3-6-16-9/h3-4,6H,2,5,7-8H2,1H3,(H,12,14)
InChIKeyVBSPBTAQFSDCAC-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.14
Rot. Bonds7

About N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine

N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80614537) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80614537
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC NameN-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(COCc2cccs2)s1
InChIInChI=1S/C11H15N3OS2/c1-2-5-12-11-14-13-10(17-11)8-15-7-9-4-3-6-16-9/h3-4,6H,2,5,7-8H2,1H3,(H,12,14)
InChIKeyVBSPBTAQFSDCAC-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-butyl-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115910533
N-propyl-5-(thiophen-2-ylmethoxymethyl)pyridin-2-amine
CID 55044939
5-[(4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607851
5-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614443
5-[(2-bromophenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607857
5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607854
N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608751
[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613805
N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606920
N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82424489
N-propyl-5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80613826
5-[(2,3-difluorophenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614729

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80614537) is N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine is CCCNc1nnc(COCc2cccs2)s1.
What is the InChIKey of N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VBSPBTAQFSDCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-2-5-12-11-14-13-10(17-11)8-15-7-9-4-3-6-16-9/h3-4,6H,2,5,7-8H2,1H3,(H,12,14).
What are the key properties of N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine?
N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).