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

C11H21N3OS — CID 65276980

IUPAC4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol
SMILESCC(C)CC(CO)Nc1nc(C(C)C)ns1
InChIInChI=1S/C11H21N3OS/c1-7(2)5-9(6-15)12-11-13-10(8(3)4)14-16-11/h7-9,15H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyPCZSMEQYKJDIOO-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.48
Rot. Bonds6

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

4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol (PubChem CID 65276980) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol
PubChem CID65276980
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol
SMILESCC(C)CC(CO)Nc1nc(C(C)C)ns1
InChIInChI=1S/C11H21N3OS/c1-7(2)5-9(6-15)12-11-13-10(8(3)4)14-16-11/h7-9,15H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyPCZSMEQYKJDIOO-UHFFFAOYSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol (CID 65276980) is 4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol is CC(C)CC(CO)Nc1nc(C(C)C)ns1.
What is the InChIKey of 4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol?
The InChIKey is PCZSMEQYKJDIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-7(2)5-9(6-15)12-11-13-10(8(3)4)14-16-11/h7-9,15H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol?
4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol has a molecular weight of 243.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol is sourced from PubChem (CID 65276980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).