5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

C8H11N5S2 — CID 114528160

IUPAC5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCn1ccnc1CCSc1nnc(N)s1
InChIInChI=1S/C8H11N5S2/c1-13-4-3-10-6(13)2-5-14-8-12-11-7(9)15-8/h3-4H,2,5H2,1H3,(H2,9,11)
InChIKeyXCVKNVDGHFRDGR-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.19
Rot. Bonds4

About 5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 114528160) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID114528160
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC Name5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCn1ccnc1CCSc1nnc(N)s1
InChIInChI=1S/C8H11N5S2/c1-13-4-3-10-6(13)2-5-14-8-12-11-7(9)15-8/h3-4H,2,5H2,1H3,(H2,9,11)
InChIKeyXCVKNVDGHFRDGR-UHFFFAOYSA-N
XLogP1.19
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-bis[(1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 52662332
5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 14880955
5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 18777792
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
methanamine;1-methyl-2-propylimidazole
CID 164902083
5-(chloromethyl)-1-methyl-2-[2-(1-methylimidazol-2-yl)ethylsulfanyl]imidazole
CID 114533158
3-[2-(1-methylimidazol-2-yl)ethylsulfanyl]butan-1-amine
CID 114528188
2-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3-benzoxazol-6-amine
CID 114531096
azane;1-methyl-2-propylimidazole
CID 174525892
N-[[4-[2-(1-methylimidazol-2-yl)ethylsulfanyl]phenyl]methyl]propan-1-amine
CID 114531994
2-[[5-[(1-methylimidazol-2-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 63295889
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 114528160) is 5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is Cn1ccnc1CCSc1nnc(N)s1.
What is the InChIKey of 5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XCVKNVDGHFRDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-13-4-3-10-6(13)2-5-14-8-12-11-7(9)15-8/h3-4H,2,5H2,1H3,(H2,9,11).
What are the key properties of 5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 241.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114528160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).