4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole

C15H15ClN2S — CID 116623853

IUPAC4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(Cn2ccc3c(Cl)cccc32)cs1
InChIInChI=1S/C15H15ClN2S/c1-2-4-15-17-11(10-19-15)9-18-8-7-12-13(16)5-3-6-14(12)18/h3,5-8,10H,2,4,9H2,1H3
InChIKeySMBANIPZFLENSQ-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.75
Rot. Bonds4

About 4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole

4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole (PubChem CID 116623853) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole
PubChem CID116623853
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(Cn2ccc3c(Cl)cccc32)cs1
InChIInChI=1S/C15H15ClN2S/c1-2-4-15-17-11(10-19-15)9-18-8-7-12-13(16)5-3-6-14(12)18/h3,5-8,10H,2,4,9H2,1H3
InChIKeySMBANIPZFLENSQ-UHFFFAOYSA-N
XLogP4.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole?
The IUPAC name of 4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole (CID 116623853) is 4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole?
The canonical SMILES for 4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole is CCCc1nc(Cn2ccc3c(Cl)cccc32)cs1.
What is the InChIKey of 4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole?
The InChIKey is SMBANIPZFLENSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-2-4-15-17-11(10-19-15)9-18-8-7-12-13(16)5-3-6-14(12)18/h3,5-8,10H,2,4,9H2,1H3.
What are the key properties of 4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole?
4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole has a molecular weight of 290.82 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole is sourced from PubChem (CID 116623853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).