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

C14H18ClN3OS — CID 133472236

IUPAC2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
SMILESCCCc1nnc(NCC(C)(O)c2ccccc2Cl)s1
InChIInChI=1S/C14H18ClN3OS/c1-3-6-12-17-18-13(20-12)16-9-14(2,19)10-7-4-5-8-11(10)15/h4-5,7-8,19H,3,6,9H2,1-2H3,(H,16,18)
InChIKeyGWVLOGXDNTUYHU-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.46
Rot. Bonds6

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

2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol (PubChem CID 133472236) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
PubChem CID133472236
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
SMILESCCCc1nnc(NCC(C)(O)c2ccccc2Cl)s1
InChIInChI=1S/C14H18ClN3OS/c1-3-6-12-17-18-13(20-12)16-9-14(2,19)10-7-4-5-8-11(10)15/h4-5,7-8,19H,3,6,9H2,1-2H3,(H,16,18)
InChIKeyGWVLOGXDNTUYHU-UHFFFAOYSA-N
XLogP3.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol (CID 133472236) is 2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol is CCCc1nnc(NCC(C)(O)c2ccccc2Cl)s1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
The InChIKey is GWVLOGXDNTUYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-3-6-12-17-18-13(20-12)16-9-14(2,19)10-7-4-5-8-11(10)15/h4-5,7-8,19H,3,6,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol has a molecular weight of 311.84 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol is sourced from PubChem (CID 133472236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).