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

C10H14N4O2S — CID 62795286

IUPAC1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCc1csc(Cc2noc(C(N)C(C)O)n2)n1
InChIInChI=1S/C10H14N4O2S/c1-5-4-17-8(12-5)3-7-13-10(16-14-7)9(11)6(2)15/h4,6,9,15H,3,11H2,1-2H3
InChIKeyRCNZAWOJDMQFMI-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.81
Rot. Bonds4

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

1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 62795286) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID62795286
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCc1csc(Cc2noc(C(N)C(C)O)n2)n1
InChIInChI=1S/C10H14N4O2S/c1-5-4-17-8(12-5)3-7-13-10(16-14-7)9(11)6(2)15/h4,6,9,15H,3,11H2,1-2H3
InChIKeyRCNZAWOJDMQFMI-UHFFFAOYSA-N
XLogP0.81
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 62795286) is 1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is Cc1csc(Cc2noc(C(N)C(C)O)n2)n1.
What is the InChIKey of 1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is RCNZAWOJDMQFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-5-4-17-8(12-5)3-7-13-10(16-14-7)9(11)6(2)15/h4,6,9,15H,3,11H2,1-2H3.
What are the key properties of 1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 254.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 62795286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).