(2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol

C6H11NOS — CID 163928442

IUPAC(2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol
SMILESCC1(C)NC(CO)=CS1
InChIInChI=1S/C6H11NOS/c1-6(2)7-5(3-8)4-9-6/h4,7-8H,3H2,1-2H3
InChIKeyRGNVLEVFZURGHC-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.89
Rot. Bonds1

About (2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol

(2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol (PubChem CID 163928442) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol
PubChem CID163928442
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name(2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol
SMILESCC1(C)NC(CO)=CS1
InChIInChI=1S/C6H11NOS/c1-6(2)7-5(3-8)4-9-6/h4,7-8H,3H2,1-2H3
InChIKeyRGNVLEVFZURGHC-UHFFFAOYSA-N
XLogP0.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol
CID 129112389
Ethane;(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol
CID 144762343
(Z)-2-amino-3-methylsulfanylprop-2-en-1-ol
CID 145524590

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol?
The IUPAC name of (2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol (CID 163928442) is (2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol?
The canonical SMILES for (2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol is CC1(C)NC(CO)=CS1.
What is the InChIKey of (2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol?
The InChIKey is RGNVLEVFZURGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-6(2)7-5(3-8)4-9-6/h4,7-8H,3H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol?
(2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol has a molecular weight of 145.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 163928442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).