4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole

C24H18ClFN4S — CID 51036877

IUPAC4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole
SMILESCC(C)c1sc(-c2cnccn2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C24H18ClFN4S/c1-13(2)23-22(30-24(31-23)20-12-27-8-9-28-20)14-6-7-18-15(10-14)11-19(29-18)21-16(25)4-3-5-17(21)26/h3-13,29H,1-2H3
InChIKeyOJFWPEWOMVNXFQ-UHFFFAOYSA-N
MW448.95 g/mol
LogP7.33
Rot. Bonds4

About 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole

4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole (PubChem CID 51036877) has the molecular formula C24H18ClFN4S and a molecular weight of 448.95 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole
PubChem CID51036877
Molecular FormulaC24H18ClFN4S
Molecular Weight448.95 g/mol
Exact Mass448.09
IUPAC Name4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole
SMILESCC(C)c1sc(-c2cnccn2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C24H18ClFN4S/c1-13(2)23-22(30-24(31-23)20-12-27-8-9-28-20)14-6-7-18-15(10-14)11-19(29-18)21-16(25)4-3-5-17(21)26/h3-13,29H,1-2H3
InChIKeyOJFWPEWOMVNXFQ-UHFFFAOYSA-N
XLogP7.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-Chlorophenyl)methyl]-3-[1-ethyl-5-[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]indol-3-yl]urea
CID 150645369
1-[(4-Chlorophenyl)methyl]-3-[1-ethyl-5-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]indol-3-yl]urea
CID 168276100
US10660877, Example 688
CID 134329659
3-[(5-Chlorothiophen-2-YL)(phenyl)methyl]-5-methyl-1H-indole
CID 16009246
4-chloro-N-[(2-methyl-1H-indol-3-yl)-(1,3-thiazol-2-yl)methyl]aniline
CID 76317516
US11420958, Ex. No. 192
CID 147713583
US11420958, Ex. No. 201
CID 150061917
US11420958, Ex. No. 199
CID 151023895
US11420958, Ex. No. 171
CID 151944290
4-(4-fluorophenyl)-5-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 9845005
4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole
CID 155811837
4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole
CID 155814916

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole (CID 51036877) is 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole is CC(C)c1sc(-c2cnccn2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1.
What is the InChIKey of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole?
The InChIKey is OJFWPEWOMVNXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4S/c1-13(2)23-22(30-24(31-23)20-12-27-8-9-28-20)14-6-7-18-15(10-14)11-19(29-18)21-16(25)4-3-5-17(21)26/h3-13,29H,1-2H3.
What are the key properties of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole?
4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole has a molecular weight of 448.95 g/mol, XLogP of 7.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 51036877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).