CID 154669490

C24H23BN5O3S — CID 154669490

IUPAC—
SMILESC[B]n1ccc(C(=O)NC(COC)C(=O)Nc2nc(-c3cccc(-c4ccncc4)c3)cs2)c1
InChIInChI=1S/C24H23BN5O3S/c1-25-30-11-8-19(13-30)22(31)27-20(14-33-2)23(32)29-24-28-21(15-34-24)18-5-3-4-17(12-18)16-6-9-26-10-7-16/h3-13,15,20H,14H2,1-2H3,(H,27,31)(H,28,29,32)
InChIKeyPXCHWHKLZJXMQZ-UHFFFAOYSA-N
MW472.36 g/mol
LogP3.57
Rot. Bonds9

About CID 154669490

CID 154669490 (PubChem CID 154669490) has the molecular formula C24H23BN5O3S and a molecular weight of 472.36 g/mol.

Molecular Properties

Compound NameCID 154669490
PubChem CID154669490
Molecular FormulaC24H23BN5O3S
Molecular Weight472.36 g/mol
Exact Mass472.16
IUPAC Name—
SMILESC[B]n1ccc(C(=O)NC(COC)C(=O)Nc2nc(-c3cccc(-c4ccncc4)c3)cs2)c1
InChIInChI=1S/C24H23BN5O3S/c1-25-30-11-8-19(13-30)22(31)27-20(14-33-2)23(32)29-24-28-21(15-34-24)18-5-3-4-17(12-18)16-6-9-26-10-7-16/h3-13,15,20H,14H2,1-2H3,(H,27,31)(H,28,29,32)
InChIKeyPXCHWHKLZJXMQZ-UHFFFAOYSA-N
XLogP3.57
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-[[3-methoxy-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]propan-2-yl]carbamoyl]pyrrol-1-yl]-methyl-oxoazanium
CID 154668536
CID 154668096
CID 154668096
CID 154669441
CID 154669441
1-methyl-N-[4-methyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]pyrrole-3-carboxamide
CID 155036882
CID 154667820
CID 154667820
CID 154667701
CID 154667701
1-methyl-N-[1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]propan-2-yl]pyrrole-3-carboxamide
CID 154667976
N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide
CID 154667674
N-[(2S)-1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
CID 154667863
N-[4-(dimethylamino)-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]butan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
CID 154667613
1-tert-butyl-N-[(2S)-1-[[4-[3-[(6E,8Z)-4,5-dihydro-3H-azonin-7-yl]phenyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]pyrrole-3-carboxamide
CID 154669359
(2S)-2-amino-4-methyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 154668589

Frequently Asked Questions

What is the IUPAC name of CID 154669490?
The IUPAC name of CID 154669490 (CID 154669490) is not available.
What is the SMILES notation for CID 154669490?
The canonical SMILES for CID 154669490 is C[B]n1ccc(C(=O)NC(COC)C(=O)Nc2nc(-c3cccc(-c4ccncc4)c3)cs2)c1.
What is the InChIKey of CID 154669490?
The InChIKey is PXCHWHKLZJXMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BN5O3S/c1-25-30-11-8-19(13-30)22(31)27-20(14-33-2)23(32)29-24-28-21(15-34-24)18-5-3-4-17(12-18)16-6-9-26-10-7-16/h3-13,15,20H,14H2,1-2H3,(H,27,31)(H,28,29,32).
What are the key properties of CID 154669490?
CID 154669490 has a molecular weight of 472.36 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154669490 is sourced from PubChem (CID 154669490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).