5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole

C16H11ClN2S — CID 79764556

IUPAC5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole
SMILESClc1ncc(Cn2c3ccccc3c3ccccc32)s1
InChIInChI=1S/C16H11ClN2S/c17-16-18-9-11(20-16)10-19-14-7-3-1-5-12(14)13-6-2-4-8-15(13)19/h1-9H,10H2
InChIKeyXEZDYEOKBVKMSE-UHFFFAOYSA-N
MW298.80 g/mol
LogP4.95
Rot. Bonds2

About 5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole

5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole (PubChem CID 79764556) has the molecular formula C16H11ClN2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole
PubChem CID79764556
Molecular FormulaC16H11ClN2S
Molecular Weight298.80 g/mol
Exact Mass298.03
IUPAC Name5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole
SMILESClc1ncc(Cn2c3ccccc3c3ccccc32)s1
InChIInChI=1S/C16H11ClN2S/c17-16-18-9-11(20-16)10-19-14-7-3-1-5-12(14)13-6-2-4-8-15(13)19/h1-9H,10H2
InChIKeyXEZDYEOKBVKMSE-UHFFFAOYSA-N
XLogP4.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole?
The IUPAC name of 5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole (CID 79764556) is 5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole?
The canonical SMILES for 5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole is Clc1ncc(Cn2c3ccccc3c3ccccc32)s1.
What is the InChIKey of 5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole?
The InChIKey is XEZDYEOKBVKMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2S/c17-16-18-9-11(20-16)10-19-14-7-3-1-5-12(14)13-6-2-4-8-15(13)19/h1-9H,10H2.
What are the key properties of 5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole?
5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole has a molecular weight of 298.80 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole is sourced from PubChem (CID 79764556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).