N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine

C12H15N3OS — CID 80608751

IUPACN-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(COCc2ccccc2)s1
InChIInChI=1S/C12H15N3OS/c1-2-13-12-15-14-11(17-12)9-16-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
InChIKeyDGWDULDUQDHKOE-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.69
Rot. Bonds6

About N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80608751) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80608751
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(COCc2ccccc2)s1
InChIInChI=1S/C12H15N3OS/c1-2-13-12-15-14-11(17-12)9-16-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
InChIKeyDGWDULDUQDHKOE-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-(octoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608322
[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]methanol
CID 80613528
ethane;phenylmethoxymethylbenzene
CID 90943549
N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80614537
[5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614106
[5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 82831907
5-[(2-bromo-4-chlorophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80608490
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 102985140
N-ethyl-5-[4-(2-methylphenoxy)butyl]-1,3,4-thiadiazol-2-amine
CID 13272890
5-[(4-tert-butyl-2-methylphenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80601503
5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 79819322

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80608751) is N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(COCc2ccccc2)s1.
What is the InChIKey of N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DGWDULDUQDHKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-13-12-15-14-11(17-12)9-16-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15).
What are the key properties of N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).