[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol

C6H9ClN2OS — CID 46785246

IUPAC[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol
SMILESCN(C)c1nc(Cl)c(CO)s1
InChIInChI=1S/C6H9ClN2OS/c1-9(2)6-8-5(7)4(3-10)11-6/h10H,3H2,1-2H3
InChIKeyVLNMFYNIMLGPJD-UHFFFAOYSA-N
MW192.67 g/mol
LogP1.35
Rot. Bonds2

About [4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol

[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol (PubChem CID 46785246) has the molecular formula C6H9ClN2OS and a molecular weight of 192.67 g/mol. Its IUPAC name is [4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol
PubChem CID46785246
Molecular FormulaC6H9ClN2OS
Molecular Weight192.67 g/mol
Exact Mass192.01
IUPAC Name[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol
SMILESCN(C)c1nc(Cl)c(CO)s1
InChIInChI=1S/C6H9ClN2OS/c1-9(2)6-8-5(7)4(3-10)11-6/h10H,3H2,1-2H3
InChIKeyVLNMFYNIMLGPJD-UHFFFAOYSA-N
XLogP1.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol (CID 46785246) is [4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol is CN(C)c1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol?
The InChIKey is VLNMFYNIMLGPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2OS/c1-9(2)6-8-5(7)4(3-10)11-6/h10H,3H2,1-2H3.
What are the key properties of [4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol has a molecular weight of 192.67 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 46785246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).