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

C18H17ClN2OS — CID 130162599

IUPAC[4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N(Cc2ccccc2)Cc2ccccc2)nc1Cl
InChIInChI=1S/C18H17ClN2OS/c19-17-16(13-22)23-18(20-17)21(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,22H,11-13H2
InChIKeyXZPJBOQPIVXINV-UHFFFAOYSA-N
MW344.87 g/mol
LogP4.50
Rot. Bonds6

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

[4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol (PubChem CID 130162599) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is [4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol
PubChem CID130162599
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC Name[4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N(Cc2ccccc2)Cc2ccccc2)nc1Cl
InChIInChI=1S/C18H17ClN2OS/c19-17-16(13-22)23-18(20-17)21(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,22H,11-13H2
InChIKeyXZPJBOQPIVXINV-UHFFFAOYSA-N
XLogP4.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol (CID 130162599) is [4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol is OCc1sc(N(Cc2ccccc2)Cc2ccccc2)nc1Cl.
What is the InChIKey of [4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol?
The InChIKey is XZPJBOQPIVXINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c19-17-16(13-22)23-18(20-17)21(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,22H,11-13H2.
What are the key properties of [4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol has a molecular weight of 344.87 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 130162599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).