methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate

C11H11N3O3S — CID 1382112

IUPACmethyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C11H11N3O3S/c1-16-8-5-3-7(4-6-8)9-13-14-10(18-9)12-11(15)17-2/h3-6H,1-2H3,(H,12,14,15)
InChIKeyJWDQAKHDXLJFFO-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.39
Rot. Bonds3

About methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate

methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate (PubChem CID 1382112) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
PubChem CID1382112
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Namemethyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C11H11N3O3S/c1-16-8-5-3-7(4-6-8)9-13-14-10(18-9)12-11(15)17-2/h3-6H,1-2H3,(H,12,14,15)
InChIKeyJWDQAKHDXLJFFO-UHFFFAOYSA-N
XLogP2.39
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
5-[(4-Methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 800231
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1405517
N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}pentanamide
CID 5925639
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 6243506
5-(2-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 748318
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 5912559
2-methylpropyl [(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 665124
methyl [(2Z)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 666511
N-ethyl-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 2174397
5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 659660
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
CID 1385839

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate (CID 1382112) is methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate is COC(=O)Nc1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate?
The InChIKey is JWDQAKHDXLJFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-16-8-5-3-7(4-6-8)9-13-14-10(18-9)12-11(15)17-2/h3-6H,1-2H3,(H,12,14,15).
What are the key properties of methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate?
methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate has a molecular weight of 265.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate is sourced from PubChem (CID 1382112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).