N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine

C12H15N3S2 — CID 66087621

IUPACN-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CSc2cccc(C)c2)ns1
InChIInChI=1S/C12H15N3S2/c1-3-13-12-14-11(15-17-12)8-16-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,13,14,15)
InChIKeyJXKILDKQDJKIKC-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.57
Rot. Bonds5

About N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine

N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 66087621) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
PubChem CID66087621
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC NameN-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CSc2cccc(C)c2)ns1
InChIInChI=1S/C12H15N3S2/c1-3-13-12-14-11(15-17-12)8-16-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,13,14,15)
InChIKeyJXKILDKQDJKIKC-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66066330
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268704
3-[(3-bromophenyl)sulfanylmethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 66160242
N-tert-butyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66071099
N-ethyl-5-iodo-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66305523
N-ethyl-2-[(3-methylphenyl)sulfanylmethyl]-6-propan-2-ylpyrimidin-4-amine
CID 66087219
4,6-dichloro-5-fluoro-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
CID 80550367
4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 112694962
2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79799234
N-ethyl-2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 66111957
N'-[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 66879142
5-iodo-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 66306920

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine (CID 66087621) is N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine is CCNc1nc(CSc2cccc(C)c2)ns1.
What is the InChIKey of N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is JXKILDKQDJKIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-3-13-12-14-11(15-17-12)8-16-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 265.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66087621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).