2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol

C12H14ClN3OS — CID 133473007

IUPAC2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCc1nsc(NCC(C)(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C12H14ClN3OS/c1-8-15-11(18-16-8)14-7-12(2,17)9-4-3-5-10(13)6-9/h3-6,17H,7H2,1-2H3,(H,14,15,16)
InChIKeyYFHRSOUYAOYQKH-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.82
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol

2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 133473007) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID133473007
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCc1nsc(NCC(C)(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C12H14ClN3OS/c1-8-15-11(18-16-8)14-7-12(2,17)9-4-3-5-10(13)6-9/h3-6,17H,7H2,1-2H3,(H,14,15,16)
InChIKeyYFHRSOUYAOYQKH-UHFFFAOYSA-N
XLogP2.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 133473051
2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 133472972
2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
CID 133473114
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol
CID 133473147
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol
CID 133473167
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
3-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133473151
2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
CID 119107466
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 133472993

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 133473007) is 2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is Cc1nsc(NCC(C)(O)c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is YFHRSOUYAOYQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-8-15-11(18-16-8)14-7-12(2,17)9-4-3-5-10(13)6-9/h3-6,17H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 283.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 133473007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).