CID 154667820

C19H20BFN5O3S — CID 154667820

IUPAC—
SMILESC[B]n1ccc(C(=O)NC(COC)C(=O)Nc2nc(-c3ccc(F)c(C)n3)cs2)c1
InChIInChI=1S/C19H20BFN5O3S/c1-11-13(21)4-5-14(22-11)16-10-30-19(24-16)25-18(28)15(9-29-3)23-17(27)12-6-7-26(8-12)20-2/h4-8,10,15H,9H2,1-3H3,(H,23,27)(H,24,25,28)
InChIKeyJJLZVUVQTCPDAA-UHFFFAOYSA-N
MW428.28 g/mol
LogP2.35
Rot. Bonds8

About CID 154667820

CID 154667820 (PubChem CID 154667820) has the molecular formula C19H20BFN5O3S and a molecular weight of 428.28 g/mol.

Molecular Properties

Compound NameCID 154667820
PubChem CID154667820
Molecular FormulaC19H20BFN5O3S
Molecular Weight428.28 g/mol
Exact Mass428.14
IUPAC Name—
SMILESC[B]n1ccc(C(=O)NC(COC)C(=O)Nc2nc(-c3ccc(F)c(C)n3)cs2)c1
InChIInChI=1S/C19H20BFN5O3S/c1-11-13(21)4-5-14(22-11)16-10-30-19(24-16)25-18(28)15(9-29-3)23-17(27)12-6-7-26(8-12)20-2/h4-8,10,15H,9H2,1-3H3,(H,23,27)(H,24,25,28)
InChIKeyJJLZVUVQTCPDAA-UHFFFAOYSA-N
XLogP2.35
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 52.35
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

CID 154669490
CID 154669490
CID 154667701
CID 154667701
CID 154668096
CID 154668096
CID 154669441
CID 154669441
CID 154668415
CID 154668415
N-[(2S)-1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
CID 154667863
[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
1-tert-butyl-N-[(2S)-1-[[4-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]pyrrole-3-carboxamide
CID 154668322
3-[[(2S)-1-[[4-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrole-1-sulfinate
CID 170280127
N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
CID 165136095
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
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

Frequently Asked Questions

What is the IUPAC name of CID 154667820?
The IUPAC name of CID 154667820 (CID 154667820) is not available.
What is the SMILES notation for CID 154667820?
The canonical SMILES for CID 154667820 is C[B]n1ccc(C(=O)NC(COC)C(=O)Nc2nc(-c3ccc(F)c(C)n3)cs2)c1.
What is the InChIKey of CID 154667820?
The InChIKey is JJLZVUVQTCPDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BFN5O3S/c1-11-13(21)4-5-14(22-11)16-10-30-19(24-16)25-18(28)15(9-29-3)23-17(27)12-6-7-26(8-12)20-2/h4-8,10,15H,9H2,1-3H3,(H,23,27)(H,24,25,28).
What are the key properties of CID 154667820?
CID 154667820 has a molecular weight of 428.28 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154667820 is sourced from PubChem (CID 154667820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).