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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Related Compounds

2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793448
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine
CID 102913727
1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile
CID 107920424
4-chloro-1-(pyridin-2-ylmethyl)indole
CID 116623601
4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
CID 116623519
1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
CID 116623535
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine
CID 66408636
4-chloro-1-(2-propoxyethyl)indole
CID 106458079
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-propyl-1,3-thiazole
CID 115582415
N-(2-chlorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 87033767

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).