CID 154667690

C24H26BFN5O2S — CID 154667690

IUPAC—
SMILESC[B]n1ccc(C(=O)NCC(Nc2nc(-c3cc(F)c4c(c3)N(C)CCO4)cs2)=C2CCC2)c1
InChIInChI=1S/C24H26BFN5O2S/c1-25-31-7-6-16(13-31)23(32)27-12-19(15-4-3-5-15)28-24-29-20(14-34-24)17-10-18(26)22-21(11-17)30(2)8-9-33-22/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyCZTIZBVHVHQFRU-UHFFFAOYSA-N
MW478.38 g/mol
LogP4.37
Rot. Bonds7

About CID 154667690

CID 154667690 (PubChem CID 154667690) has the molecular formula C24H26BFN5O2S and a molecular weight of 478.38 g/mol.

Molecular Properties

Compound NameCID 154667690
PubChem CID154667690
Molecular FormulaC24H26BFN5O2S
Molecular Weight478.38 g/mol
Exact Mass478.19
IUPAC Name—
SMILESC[B]n1ccc(C(=O)NCC(Nc2nc(-c3cc(F)c4c(c3)N(C)CCO4)cs2)=C2CCC2)c1
InChIInChI=1S/C24H26BFN5O2S/c1-25-31-7-6-16(13-31)23(32)27-12-19(15-4-3-5-15)28-24-29-20(14-34-24)17-10-18(26)22-21(11-17)30(2)8-9-33-22/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyCZTIZBVHVHQFRU-UHFFFAOYSA-N
XLogP4.37
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.38
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 154667690 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane
CID 154669914
CID 154668415
CID 154668415
N-[2-[[4-[3-[3-(aminomethyl)phenyl]phenyl]-1,3-thiazol-2-yl]amino]-2-cyclopropylideneethyl]-1-methylpyrrole-3-carboxamide
CID 154667700
N-[2-cyclobutylidene-2-[[4-[3-(4-hydroxycyclohexyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl]-1-methylsulfinylpyrrole-3-carboxamide
CID 155037238
CID 154667820
CID 154667820
CID 154669632
CID 154669632
(3R)-3-(hydroxymethyl)-3-methyl-N-[2-[[4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,2-dihydroindene-5-carboxamide
CID 166521596
1-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]pyrrole-3-carboxamide
CID 154667811
CID 154667701
CID 154667701
CID 154668096
CID 154668096
CID 154669490
CID 154669490
N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-cyclobutylideneethyl]-3-methylimidazole-4-carboxamide
CID 154668095

Frequently Asked Questions

What is the IUPAC name of CID 154667690?
The IUPAC name of CID 154667690 (CID 154667690) is not available.
What is the SMILES notation for CID 154667690?
The canonical SMILES for CID 154667690 is C[B]n1ccc(C(=O)NCC(Nc2nc(-c3cc(F)c4c(c3)N(C)CCO4)cs2)=C2CCC2)c1.
What is the InChIKey of CID 154667690?
The InChIKey is CZTIZBVHVHQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BFN5O2S/c1-25-31-7-6-16(13-31)23(32)27-12-19(15-4-3-5-15)28-24-29-20(14-34-24)17-10-18(26)22-21(11-17)30(2)8-9-33-22/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of CID 154667690?
CID 154667690 has a molecular weight of 478.38 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154667690 is sourced from PubChem (CID 154667690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).