CID 174020284

C16H27BN2OS — CID 174020284

IUPAC—
SMILES[B]C(=O)Nc1ncc(C(CCCCC)CCCCCC)s1
InChIInChI=1S/C16H27BN2OS/c1-3-5-7-9-11-13(10-8-6-4-2)14-12-18-16(21-14)19-15(17)20/h12-13H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyJXNKEBAINGZDBW-UHFFFAOYSA-N
MW306.28 g/mol
LogP5.48
Rot. Bonds11

About CID 174020284

CID 174020284 (PubChem CID 174020284) has the molecular formula C16H27BN2OS and a molecular weight of 306.28 g/mol.

Molecular Properties

Compound NameCID 174020284
PubChem CID174020284
Molecular FormulaC16H27BN2OS
Molecular Weight306.28 g/mol
Exact Mass306.19
IUPAC Name—
SMILES[B]C(=O)Nc1ncc(C(CCCCC)CCCCCC)s1
InChIInChI=1S/C16H27BN2OS/c1-3-5-7-9-11-13(10-8-6-4-2)14-12-18-16(21-14)19-15(17)20/h12-13H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyJXNKEBAINGZDBW-UHFFFAOYSA-N
XLogP5.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.28
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide
CID 164639869
2,5-bis[5-[5-[5-[5-(5-nonadecan-9-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 135005984
2,5-bis[5-[5-[5-(5-nonadecan-9-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 135005982
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 71999021
2-(octylamino)-1,3-thiazole-5-carboxylic acid
CID 115565235
3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120501562
ethane;5-heptan-3-yl-1,3-thiazol-2-amine
CID 156888648
5-dodecan-6-yl-1,2-thiazole
CID 134557589
N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 5146409
3-[methyl-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 122091531
1,4-bis[5-[5-[5-[5-(5-nonadecan-9-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]butane-1,4-dione
CID 135005985
(2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide
CID 7260906

Frequently Asked Questions

What is the IUPAC name of CID 174020284?
The IUPAC name of CID 174020284 (CID 174020284) is not available.
What is the SMILES notation for CID 174020284?
The canonical SMILES for CID 174020284 is [B]C(=O)Nc1ncc(C(CCCCC)CCCCCC)s1.
What is the InChIKey of CID 174020284?
The InChIKey is JXNKEBAINGZDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BN2OS/c1-3-5-7-9-11-13(10-8-6-4-2)14-12-18-16(21-14)19-15(17)20/h12-13H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of CID 174020284?
CID 174020284 has a molecular weight of 306.28 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174020284 is sourced from PubChem (CID 174020284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).