hexadecyl N-(thiadiazole-4-carbonyl)carbamate

C20H35N3O3S — CID 11280954

IUPAChexadecyl N-(thiadiazole-4-carbonyl)carbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)NC(=O)c1csnn1
InChIInChI=1S/C20H35N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-20(25)21-19(24)18-17-27-23-22-18/h17H,2-16H2,1H3,(H,21,24,25)
InChIKeyKDRCDXFLAABSSX-UHFFFAOYSA-N
MW397.59 g/mol
LogP5.89
Rot. Bonds16

About hexadecyl N-(thiadiazole-4-carbonyl)carbamate

hexadecyl N-(thiadiazole-4-carbonyl)carbamate (PubChem CID 11280954) has the molecular formula C20H35N3O3S and a molecular weight of 397.59 g/mol. Its IUPAC name is hexadecyl N-(thiadiazole-4-carbonyl)carbamate.

Molecular Properties

Compound Namehexadecyl N-(thiadiazole-4-carbonyl)carbamate
PubChem CID11280954
Molecular FormulaC20H35N3O3S
Molecular Weight397.59 g/mol
Exact Mass397.24
IUPAC Namehexadecyl N-(thiadiazole-4-carbonyl)carbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)NC(=O)c1csnn1
InChIInChI=1S/C20H35N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-20(25)21-19(24)18-17-27-23-22-18/h17H,2-16H2,1H3,(H,21,24,25)
InChIKeyKDRCDXFLAABSSX-UHFFFAOYSA-N
XLogP5.89
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.59
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-hexoxycarbonylcarbamate
CID 153299552
dodecoxycarbonylcarbamic acid
CID 19778443
dodecyl N-[(E)-2-(dodecoxycarbonylamino)ethenyl]carbamate
CID 3033556
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
henicosyl N-aminocarbamate
CID 174861039
octyl N-aminocarbamate
CID 129323256
dodecyl N-phenylcarbamate
CID 521818
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
hexyl N-[5-(aminomethyl)thiophene-3-carboximidoyl]carbamate
CID 172689535
6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate
CID 91725154
hexyl N-ethylcarbamate;pyridine
CID 137370460
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058

Frequently Asked Questions

What is the IUPAC name of hexadecyl N-(thiadiazole-4-carbonyl)carbamate?
The IUPAC name of hexadecyl N-(thiadiazole-4-carbonyl)carbamate (CID 11280954) is hexadecyl N-(thiadiazole-4-carbonyl)carbamate.
What is the SMILES notation for hexadecyl N-(thiadiazole-4-carbonyl)carbamate?
The canonical SMILES for hexadecyl N-(thiadiazole-4-carbonyl)carbamate is CCCCCCCCCCCCCCCCOC(=O)NC(=O)c1csnn1.
What is the InChIKey of hexadecyl N-(thiadiazole-4-carbonyl)carbamate?
The InChIKey is KDRCDXFLAABSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-20(25)21-19(24)18-17-27-23-22-18/h17H,2-16H2,1H3,(H,21,24,25).
What are the key properties of hexadecyl N-(thiadiazole-4-carbonyl)carbamate?
hexadecyl N-(thiadiazole-4-carbonyl)carbamate has a molecular weight of 397.59 g/mol, XLogP of 5.89, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl N-(thiadiazole-4-carbonyl)carbamate is sourced from PubChem (CID 11280954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).