butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate

C18H18N2O2S — CID 108733444

IUPACbutyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
SMILESCCCCOC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C18H18N2O2S/c1-2-3-10-22-18(21)20-17-19-16(12-23-17)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,21)
InChIKeyQPLPPGRETRBYQY-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.31
Rot. Bonds5

About butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate

butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate (PubChem CID 108733444) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
PubChem CID108733444
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Namebutyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
SMILESCCCCOC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C18H18N2O2S/c1-2-3-10-22-18(21)20-17-19-16(12-23-17)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,21)
InChIKeyQPLPPGRETRBYQY-UHFFFAOYSA-N
XLogP5.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733446
3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 3524855
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431
butyl N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamate
CID 15916634
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274
2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18576995
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 40538671
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343

Frequently Asked Questions

What is the IUPAC name of butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate (CID 108733444) is butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate is CCCCOC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate?
The InChIKey is QPLPPGRETRBYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-3-10-22-18(21)20-17-19-16(12-23-17)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,21).
What are the key properties of butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate?
butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate has a molecular weight of 326.42 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 108733444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).