(2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol

C12H15N3O2S — CID 139041196

IUPAC(2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
SMILESCOc1ccc(Nc2nc(C[C@@H](C)O)ns2)cc1
InChIInChI=1S/C12H15N3O2S/c1-8(16)7-11-14-12(18-15-11)13-9-3-5-10(17-2)6-4-9/h3-6,8,16H,7H2,1-2H3,(H,13,14,15)/t8-/m1/s1
InChIKeyLXPDOPIXDQKGRR-MRVPVSSYSA-N
MW265.34 g/mol
LogP2.21
Rot. Bonds5

About (2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol

(2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol (PubChem CID 139041196) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is (2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
PubChem CID139041196
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name(2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
SMILESCOc1ccc(Nc2nc(C[C@@H](C)O)ns2)cc1
InChIInChI=1S/C12H15N3O2S/c1-8(16)7-11-14-12(18-15-11)13-9-3-5-10(17-2)6-4-9/h3-6,8,16H,7H2,1-2H3,(H,13,14,15)/t8-/m1/s1
InChIKeyLXPDOPIXDQKGRR-MRVPVSSYSA-N
XLogP2.21
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-{5-[(3,4-Dimethoxyphenyl)amino]-1,2,4-thiadiazol-3-yl}propan-2-one
CID 647717
1-{5-[(4-Methoxyphenyl)amino]-1,2,4-thiadiazol-3-yl}propan-2-one
CID 756524
2-[4-Amino-6-(4-methoxy-phenylamino)-[1,3,5]triazin-2-ylmethylsulfanyl]-ethanol
CID 2009411
1-[5-(3-Methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4694173
3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-thiadiazole-3,5-diamine
CID 32147203
1-[5-(4-Methoxyphenylamino)-1,2,4-thiadiazol-3-yl]-propan-2-ol
CID 145989894
3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 163323037
N-(4-methoxyphenyl)-3-phenyl-1,2,4-thiadiazol-5-amine
CID 176436842
5-N-(4-methoxyphenyl)-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine
CID 176436846
4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
CID 65273675
3-Fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273730
4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline
CID 65273790

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol?
The IUPAC name of (2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol (CID 139041196) is (2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol is COc1ccc(Nc2nc(C[C@@H](C)O)ns2)cc1.
What is the InChIKey of (2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol?
The InChIKey is LXPDOPIXDQKGRR-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8(16)7-11-14-12(18-15-11)13-9-3-5-10(17-2)6-4-9/h3-6,8,16H,7H2,1-2H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of (2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol?
(2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol has a molecular weight of 265.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol is sourced from PubChem (CID 139041196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).