2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol

C10H12N2OS2 — CID 129269629

IUPAC2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(C)C(O)(c1nccs1)c1nccs1
InChIInChI=1S/C10H12N2OS2/c1-7(2)10(13,8-11-3-5-14-8)9-12-4-6-15-9/h3-7,13H,1-2H3
InChIKeyVUNDCDUGKWZTCY-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.49
Rot. Bonds3

About 2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol

2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 129269629) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol
PubChem CID129269629
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(C)C(O)(c1nccs1)c1nccs1
InChIInChI=1S/C10H12N2OS2/c1-7(2)10(13,8-11-3-5-14-8)9-12-4-6-15-9/h3-7,13H,1-2H3
InChIKeyVUNDCDUGKWZTCY-UHFFFAOYSA-N
XLogP2.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 80605598
(1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol
CID 95850481
1-amino-2-(1,3-thiazol-2-yl)propan-2-ol
CID 45121741
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990854
(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
CID 64990931
2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990809
2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990979
cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol
CID 162419779
4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol
CID 115975948
ethane;2-(2-methylbutan-2-yl)-1,3-thiazole
CID 143011926
2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole
CID 91318446

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol (CID 129269629) is 2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol is CC(C)C(O)(c1nccs1)c1nccs1.
What is the InChIKey of 2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is VUNDCDUGKWZTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-7(2)10(13,8-11-3-5-14-8)9-12-4-6-15-9/h3-7,13H,1-2H3.
What are the key properties of 2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol?
2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 129269629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).