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

C14H18ClN3OS — CID 133473051

IUPAC2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCC(C)c1nsc(NCC(C)(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN3OS/c1-9(2)12-17-13(20-18-12)16-8-14(3,19)10-5-4-6-11(15)7-10/h4-7,9,19H,8H2,1-3H3,(H,16,17,18)
InChIKeySKEVEZLTCOXGJJ-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.63
Rot. Bonds5

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

2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 133473051) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID133473051
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCC(C)c1nsc(NCC(C)(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN3OS/c1-9(2)12-17-13(20-18-12)16-8-14(3,19)10-5-4-6-11(15)7-10/h4-7,9,19H,8H2,1-3H3,(H,16,17,18)
InChIKeySKEVEZLTCOXGJJ-UHFFFAOYSA-N
XLogP3.63
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 133473007
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
3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
CID 133335354
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
N-[(3-methylphenyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271290
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
2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine
CID 106142084
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 133473051) is 2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is CC(C)c1nsc(NCC(C)(O)c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is SKEVEZLTCOXGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-9(2)12-17-13(20-18-12)16-8-14(3,19)10-5-4-6-11(15)7-10/h4-7,9,19H,8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 311.84 g/mol, XLogP of 3.63, 5 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-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 133473051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).