phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate

C10H9N3O2S — CID 644678

IUPACphenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate
SMILESCc1nnc(NC(=O)Oc2ccccc2)s1
InChIInChI=1S/C10H9N3O2S/c1-7-12-13-9(16-7)11-10(14)15-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKeyOVDLZRHEZVLBGB-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.46
Rot. Bonds2

About phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate

phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate (PubChem CID 644678) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate
PubChem CID644678
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Namephenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate
SMILESCc1nnc(NC(=O)Oc2ccccc2)s1
InChIInChI=1S/C10H9N3O2S/c1-7-12-13-9(16-7)11-10(14)15-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14)
InChIKeyOVDLZRHEZVLBGB-UHFFFAOYSA-N
XLogP2.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl [(2Z)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 666511
methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1392231
Phenyl [5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 735090
Phenyl 1,3,4-thiadiazol-2-ylcarbamate
CID 875112
methyl [(2E)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 5928404
butyl [(2E)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 6104753
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 810814
Methyl {5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}carbamate
CID 2201221
2-Methylpropyl [5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 811180
Isobutyl {5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}carbamate
CID 878377
Butyl [5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1720775
Isobutyl {5-[(2-phenoxyethyl)thio]-1,3,4-thiadiazol-2-yl}carbamate
CID 2201256

Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate (CID 644678) is phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate is Cc1nnc(NC(=O)Oc2ccccc2)s1.
What is the InChIKey of phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate?
The InChIKey is OVDLZRHEZVLBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-7-12-13-9(16-7)11-10(14)15-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13,14).
What are the key properties of phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate?
phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate has a molecular weight of 235.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate is sourced from PubChem (CID 644678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).