CID 24828815

C25H30N3OS — CID 24828815

IUPAC—
SMILESCC1(C)CC(NCc2ccc(/C=C/c3nc4ccccc4s3)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C25H30N3OS/c1-24(2)15-20(16-25(3,4)28(24)29)26-17-19-11-9-18(10-12-19)13-14-23-27-21-7-5-6-8-22(21)30-23/h5-14,20,26H,15-17H2,1-4H3/b14-13+
InChIKeyWPDFXHQNJDFYQG-BUHFOSPRSA-N
MW420.60 g/mol
LogP5.92
Rot. Bonds5

About CID 24828815

CID 24828815 (PubChem CID 24828815) has the molecular formula C25H30N3OS and a molecular weight of 420.60 g/mol.

Molecular Properties

Compound NameCID 24828815
PubChem CID24828815
Molecular FormulaC25H30N3OS
Molecular Weight420.60 g/mol
Exact Mass420.21
IUPAC Name—
SMILESCC1(C)CC(NCc2ccc(/C=C/c3nc4ccccc4s3)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C25H30N3OS/c1-24(2)15-20(16-25(3,4)28(24)29)26-17-19-11-9-18(10-12-19)13-14-23-27-21-7-5-6-8-22(21)30-23/h5-14,20,26H,15-17H2,1-4H3/b14-13+
InChIKeyWPDFXHQNJDFYQG-BUHFOSPRSA-N
XLogP5.92
TPSA48.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-[4-(diethoxyphosphorylmethyl)phenyl]ethenyl]-1,3-benzothiazole
CID 15738670
2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
CID 20727324
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;ethane
CID 90760249
4-[(E)-2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 10896445
2-[(E)-2-(4-azidophenyl)ethenyl]-1,3-benzothiazole
CID 71665743
2-[(E)-2-[4-[(E)-2-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]ethenyl]phenyl]ethenyl]-1,3-benzothiazole
CID 6264647
2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-benzothiazole
CID 20727321
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-(2-sulfanylethyl)benzamide
CID 101031705
4-[4-(1,3-benzothiazol-2-yl)buta-1,3-dienyl]-N-methylaniline
CID 73097732
1-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]pyrrolidine-2-carboxylic acid
CID 20618441
2-[[4-[2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]methylidene]propanedinitrile
CID 71374813
N-(1,3-benzothiazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80692058

Frequently Asked Questions

What is the IUPAC name of CID 24828815?
The IUPAC name of CID 24828815 (CID 24828815) is not available.
What is the SMILES notation for CID 24828815?
The canonical SMILES for CID 24828815 is CC1(C)CC(NCc2ccc(/C=C/c3nc4ccccc4s3)cc2)CC(C)(C)N1[O].
What is the InChIKey of CID 24828815?
The InChIKey is WPDFXHQNJDFYQG-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H30N3OS/c1-24(2)15-20(16-25(3,4)28(24)29)26-17-19-11-9-18(10-12-19)13-14-23-27-21-7-5-6-8-22(21)30-23/h5-14,20,26H,15-17H2,1-4H3/b14-13+.
What are the key properties of CID 24828815?
CID 24828815 has a molecular weight of 420.60 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24828815 is sourced from PubChem (CID 24828815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).