CID 154668415

C17H16BN4O2S — CID 154668415

IUPAC—
SMILESC[B]n1ccc(C(=O)NCC(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H16BN4O2S/c1-18-22-8-7-13(10-22)16(24)19-9-15(23)21-17-20-14(11-25-17)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyJNOGZIWZWFAPEN-UHFFFAOYSA-N
MW351.22 g/mol
LogP2.50
Rot. Bonds6

About CID 154668415

CID 154668415 (PubChem CID 154668415) has the molecular formula C17H16BN4O2S and a molecular weight of 351.22 g/mol.

Molecular Properties

Compound NameCID 154668415
PubChem CID154668415
Molecular FormulaC17H16BN4O2S
Molecular Weight351.22 g/mol
Exact Mass351.11
IUPAC Name—
SMILESC[B]n1ccc(C(=O)NCC(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H16BN4O2S/c1-18-22-8-7-13(10-22)16(24)19-9-15(23)21-17-20-14(11-25-17)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyJNOGZIWZWFAPEN-UHFFFAOYSA-N
XLogP2.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]pyrrole-3-carboxamide
CID 154667811
CID 154669632
CID 154669632
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037029
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
1-tert-butyl-N-[2-[[4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
CID 154668412
N-[2-[[4-[3-[3-(aminomethyl)phenyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037500
3,5-dimethyl-N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46667813
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 7042872
2-(2-methoxyethylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119670239
N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-(2-cyanopropan-2-yl)pyrrole-3-carboxamide
CID 154668270
N-[2-[[4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 154667679

Frequently Asked Questions

What is the IUPAC name of CID 154668415?
The IUPAC name of CID 154668415 (CID 154668415) is not available.
What is the SMILES notation for CID 154668415?
The canonical SMILES for CID 154668415 is C[B]n1ccc(C(=O)NCC(=O)Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of CID 154668415?
The InChIKey is JNOGZIWZWFAPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BN4O2S/c1-18-22-8-7-13(10-22)16(24)19-9-15(23)21-17-20-14(11-25-17)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,19,24)(H,20,21,23).
What are the key properties of CID 154668415?
CID 154668415 has a molecular weight of 351.22 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154668415 is sourced from PubChem (CID 154668415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).