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

C15H20ClN3OS — CID 133473165

IUPAC1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol
SMILESCC(C)(C)c1nnc(NCC(C)(O)c2cccc(Cl)c2)s1
InChIInChI=1S/C15H20ClN3OS/c1-14(2,3)12-18-19-13(21-12)17-9-15(4,20)10-6-5-7-11(16)8-10/h5-8,20H,9H2,1-4H3,(H,17,19)
InChIKeyZBHFOVYEVCACQM-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.81
Rot. Bonds4

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

1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol (PubChem CID 133473165) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol
PubChem CID133473165
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol
SMILESCC(C)(C)c1nnc(NCC(C)(O)c2cccc(Cl)c2)s1
InChIInChI=1S/C15H20ClN3OS/c1-14(2,3)12-18-19-13(21-12)17-9-15(4,20)10-6-5-7-11(16)8-10/h5-8,20H,9H2,1-4H3,(H,17,19)
InChIKeyZBHFOVYEVCACQM-UHFFFAOYSA-N
XLogP3.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol?
The IUPAC name of 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol (CID 133473165) is 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol is CC(C)(C)c1nnc(NCC(C)(O)c2cccc(Cl)c2)s1.
What is the InChIKey of 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol?
The InChIKey is ZBHFOVYEVCACQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-14(2,3)12-18-19-13(21-12)17-9-15(4,20)10-6-5-7-11(16)8-10/h5-8,20H,9H2,1-4H3,(H,17,19).
What are the key properties of 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol?
1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol has a molecular weight of 325.87 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-(3-chlorophenyl)propan-2-ol is sourced from PubChem (CID 133473165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).