3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine

C12H17N3O2S — CID 133346831

IUPAC3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(COC)c2ccc(C)o2)n1
InChIInChI=1S/C12H17N3O2S/c1-4-11-14-12(18-15-11)13-9(7-16-3)10-6-5-8(2)17-10/h5-6,9H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyCKTHDUBYRXAHIB-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.80
Rot. Bonds6

About 3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133346831) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID133346831
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(COC)c2ccc(C)o2)n1
InChIInChI=1S/C12H17N3O2S/c1-4-11-14-12(18-15-11)13-9(7-16-3)10-6-5-8(2)17-10/h5-6,9H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyCKTHDUBYRXAHIB-UHFFFAOYSA-N
XLogP2.80
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-2-methoxy-1-(5-methylfuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 97824516
5-[2-(5-Ethylfuran-2-yl)piperidin-1-yl]-3-(1-methoxyethyl)-1,2,4-thiadiazole
CID 132301575
N-(furan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304641
N-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304718
N-[(5-methylfuran-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304913
N-[1-(5-methylfuran-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113943931
1-[2-(Dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;2,2,2-trifluoroacetic acid
CID 154886850
1-[5-(Furan-2-ylmethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4073987
2-N-[1-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 59874296
2-N-[1-(furan-2-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 59874337
N-[4-[1-(furan-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874346
N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine
CID 142761640

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 133346831) is 3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NC(COC)c2ccc(C)o2)n1.
What is the InChIKey of 3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is CKTHDUBYRXAHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-11-14-12(18-15-11)13-9(7-16-3)10-6-5-8(2)17-10/h5-6,9H,4,7H2,1-3H3,(H,13,14,15).
What are the key properties of 3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 267.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133346831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).