[4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C27H27N5O2S — CID 66840650

IUPAC[4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESCc1cn(-c2ccc(C(=O)N3CC(N4CCN(C(=O)c5nccs5)CC4)C3)cc2)c2ccccc12
InChIInChI=1S/C27H27N5O2S/c1-19-16-32(24-5-3-2-4-23(19)24)21-8-6-20(7-9-21)26(33)31-17-22(18-31)29-11-13-30(14-12-29)27(34)25-28-10-15-35-25/h2-10,15-16,22H,11-14,17-18H2,1H3
InChIKeySQQUUEDWRSOUOV-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.68
Rot. Bonds4

About [4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

[4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840650) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is [4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
PubChem CID66840650
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC Name[4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESCc1cn(-c2ccc(C(=O)N3CC(N4CCN(C(=O)c5nccs5)CC4)C3)cc2)c2ccccc12
InChIInChI=1S/C27H27N5O2S/c1-19-16-32(24-5-3-2-4-23(19)24)21-8-6-20(7-9-21)26(33)31-17-22(18-31)29-11-13-30(14-12-29)27(34)25-28-10-15-35-25/h2-10,15-16,22H,11-14,17-18H2,1H3
InChIKeySQQUUEDWRSOUOV-UHFFFAOYSA-N
XLogP3.68
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-pyrimidin-5-ylphenyl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840043
(1-pyrimidin-2-ylindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66839937
[1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 71232053
(2,3-diphenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840418
[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 123497602
[4-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 90339746
(3-phenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840730
[4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 71232116
[3-(4-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840992
[3-(3-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840614
(2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840347
(2-phenyl-3H-benzimidazol-5-yl)-[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840197

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of [4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840650) is [4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for [4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is Cc1cn(-c2ccc(C(=O)N3CC(N4CCN(C(=O)c5nccs5)CC4)C3)cc2)c2ccccc12.
What is the InChIKey of [4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is SQQUUEDWRSOUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c1-19-16-32(24-5-3-2-4-23(19)24)21-8-6-20(7-9-21)26(33)31-17-22(18-31)29-11-13-30(14-12-29)27(34)25-28-10-15-35-25/h2-10,15-16,22H,11-14,17-18H2,1H3.
What are the key properties of [4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
[4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 485.61 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).