2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol

C12H17N3OS2 — CID 57165145

IUPAC2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol
SMILESCC(C)CC(N)C(O)(c1nccs1)c1nccs1
InChIInChI=1S/C12H17N3OS2/c1-8(2)7-9(13)12(16,10-14-3-5-17-10)11-15-4-6-18-11/h3-6,8-9,16H,7,13H2,1-2H3
InChIKeyGLMNTKVSTBZEOW-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.21
Rot. Bonds5

About 2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol

2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol (PubChem CID 57165145) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol
PubChem CID57165145
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC Name2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol
SMILESCC(C)CC(N)C(O)(c1nccs1)c1nccs1
InChIInChI=1S/C12H17N3OS2/c1-8(2)7-9(13)12(16,10-14-3-5-17-10)11-15-4-6-18-11/h3-6,8-9,16H,7,13H2,1-2H3
InChIKeyGLMNTKVSTBZEOW-UHFFFAOYSA-N
XLogP2.21
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol?
The IUPAC name of 2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol (CID 57165145) is 2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol.
What is the SMILES notation for 2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol?
The canonical SMILES for 2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol is CC(C)CC(N)C(O)(c1nccs1)c1nccs1.
What is the InChIKey of 2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol?
The InChIKey is GLMNTKVSTBZEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c1-8(2)7-9(13)12(16,10-14-3-5-17-10)11-15-4-6-18-11/h3-6,8-9,16H,7,13H2,1-2H3.
What are the key properties of 2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol?
2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1,1-bis(1,3-thiazol-2-yl)pentan-1-ol is sourced from PubChem (CID 57165145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).