3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine

C17H23N3OS — CID 133428494

IUPAC3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1ccccc1C(CC(C)C)Nc1nc(C2CC2)ns1
InChIInChI=1S/C17H23N3OS/c1-11(2)10-14(13-6-4-5-7-15(13)21-3)18-17-19-16(20-22-17)12-8-9-12/h4-7,11-12,14H,8-10H2,1-3H3,(H,18,19,20)
InChIKeyKDROTERELFKDRV-UHFFFAOYSA-N
MW317.46 g/mol
LogP4.62
Rot. Bonds7

About 3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133428494) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine
PubChem CID133428494
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1ccccc1C(CC(C)C)Nc1nc(C2CC2)ns1
InChIInChI=1S/C17H23N3OS/c1-11(2)10-14(13-6-4-5-7-15(13)21-3)18-17-19-16(20-22-17)12-8-9-12/h4-7,11-12,14H,8-10H2,1-3H3,(H,18,19,20)
InChIKeyKDROTERELFKDRV-UHFFFAOYSA-N
XLogP4.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
CID 133358780
3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65274507
3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352605
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424
2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
CID 110016070
1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid
CID 122004761
N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271478
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride
CID 119816788
(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
CID 119342540
3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103943106
5-[[1-(2-methoxyphenyl)-3-methylbutyl]amino]pyrazine-2-carbonitrile
CID 133485104
3-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-thiadiazol-5-amine
CID 133335502

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine (CID 133428494) is 3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine is COc1ccccc1C(CC(C)C)Nc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is KDROTERELFKDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-11(2)10-14(13-6-4-5-7-15(13)21-3)18-17-19-16(20-22-17)12-8-9-12/h4-7,11-12,14H,8-10H2,1-3H3,(H,18,19,20).
What are the key properties of 3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 317.46 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133428494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).