5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine

C12H15N3OS — CID 1089194

IUPAC5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(O[C@@H](C)c2nnc(N)s2)c1C
InChIInChI=1S/C12H15N3OS/c1-7-5-4-6-10(8(7)2)16-9(3)11-14-15-12(13)17-11/h4-6,9H,1-3H3,(H2,13,15)/t9-/m0/s1
InChIKeyNPAGTEVEAGUCNO-VIFPVBQESA-N
MW249.34 g/mol
LogP2.88
Rot. Bonds3

About 5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine

5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 1089194) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID1089194
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(O[C@@H](C)c2nnc(N)s2)c1C
InChIInChI=1S/C12H15N3OS/c1-7-5-4-6-10(8(7)2)16-9(3)11-14-15-12(13)17-11/h4-6,9H,1-3H3,(H2,13,15)/t9-/m0/s1
InChIKeyNPAGTEVEAGUCNO-VIFPVBQESA-N
XLogP2.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
2-(2,3-dimethylphenoxy)propan-1-amine
CID 22688786
1-(2,3-dimethylphenoxy)propan-1-amine
CID 21429261
N-[5-[1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 46969308
2-(2,3-dimethylphenoxy)pentan-1-amine
CID 83045210
3-(2,3-dimethylphenoxy)pentan-1-amine
CID 43368078
methyl 2-[[5-[1-(2,3-dimethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 19637580
4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline
CID 107656372
5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3407778
1,2-dimethyl-3-(2-methylundecan-6-yloxy)benzene
CID 141386895
4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80863931
5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine
CID 2771921

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine (CID 1089194) is 5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine is Cc1cccc(O[C@@H](C)c2nnc(N)s2)c1C.
What is the InChIKey of 5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NPAGTEVEAGUCNO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-5-4-6-10(8(7)2)16-9(3)11-14-15-12(13)17-11/h4-6,9H,1-3H3,(H2,13,15)/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1089194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).