3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine

C16H23N3OS — CID 133369815

IUPAC3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NC(C)c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H23N3OS/c1-11(2)13-5-7-14(8-6-13)12(3)17-16-18-15(19-21-16)9-10-20-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18,19)
InChIKeyFULCYHONGBZKCC-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.02
Rot. Bonds7

About 3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine

3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133369815) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID133369815
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NC(C)c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H23N3OS/c1-11(2)13-5-7-14(8-6-13)12(3)17-16-18-15(19-21-16)9-10-20-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18,19)
InChIKeyFULCYHONGBZKCC-UHFFFAOYSA-N
XLogP4.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352584
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352580
3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133335089
N-[1-(4-aminophenyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276079
2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid
CID 122062555
3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65274547
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133369931
1-(4-chloro-3-fluorophenyl)-2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 133430861
3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133352107
3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65271045
N-[1-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305029
4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid
CID 122064209

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 133369815) is 3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine is COCCc1nsc(NC(C)c2ccc(C(C)C)cc2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is FULCYHONGBZKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-11(2)13-5-7-14(8-6-13)12(3)17-16-18-15(19-21-16)9-10-20-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,18,19).
What are the key properties of 3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine?
3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 305.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133369815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).