2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole

C24H25NOS — CID 174276750

IUPAC2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole
SMILESCc1ccc(C2CCCCC2)c2oc(-c3nc4c(C)ccc(C)c4s3)cc12
InChIInChI=1S/C24H25NOS/c1-14-11-12-18(17-7-5-4-6-8-17)22-19(14)13-20(26-22)24-25-21-15(2)9-10-16(3)23(21)27-24/h9-13,17H,4-8H2,1-3H3
InChIKeyUPTIYVZLGBRVRB-UHFFFAOYSA-N
MW375.54 g/mol
LogP7.68
Rot. Bonds2

About 2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole

2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole (PubChem CID 174276750) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is 2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole
PubChem CID174276750
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC Name2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole
SMILESCc1ccc(C2CCCCC2)c2oc(-c3nc4c(C)ccc(C)c4s3)cc12
InChIInChI=1S/C24H25NOS/c1-14-11-12-18(17-7-5-4-6-8-17)22-19(14)13-20(26-22)24-25-21-15(2)9-10-16(3)23(21)27-24/h9-13,17H,4-8H2,1-3H3
InChIKeyUPTIYVZLGBRVRB-UHFFFAOYSA-N
XLogP7.68
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole
CID 135196387
2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole
CID 135196378
6-cyclohexyl-N-(2,4-dimethylphenyl)-N-methyldibenzofuran-4-amine
CID 138651898
2-cycloheptyl-5-methylphenol
CID 45096882
1,2,3-tricyclohexyl-4-methylbenzene
CID 173149758
3-cyclohexyl-6-methylbenzene-1,2-diol
CID 150190518
2-cyclohexyl-8-methylpyren-1-ol
CID 174259447
6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine
CID 166813401
2,6-dicyclohexyl-3-methylphenol
CID 3022567
6-N,18-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 157323255
6-cyclohexyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527995
8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 147127485

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole?
The IUPAC name of 2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole (CID 174276750) is 2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole?
The canonical SMILES for 2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole is Cc1ccc(C2CCCCC2)c2oc(-c3nc4c(C)ccc(C)c4s3)cc12.
What is the InChIKey of 2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole?
The InChIKey is UPTIYVZLGBRVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NOS/c1-14-11-12-18(17-7-5-4-6-8-17)22-19(14)13-20(26-22)24-25-21-15(2)9-10-16(3)23(21)27-24/h9-13,17H,4-8H2,1-3H3.
What are the key properties of 2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole?
2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole has a molecular weight of 375.54 g/mol, XLogP of 7.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 174276750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).