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

C14H17N3O3S — CID 665124

IUPAC2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCOc1ccccc1-c1nnc(NC(=O)OCC(C)C)s1
InChIInChI=1S/C14H17N3O3S/c1-9(2)8-20-14(18)15-13-17-16-12(21-13)10-6-4-5-7-11(10)19-3/h4-7,9H,8H2,1-3H3,(H,15,17,18)
InChIKeyWASXKSDNVWDTOJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.42
Rot. Bonds5

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

2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate (PubChem CID 665124) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
PubChem CID665124
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCOc1ccccc1-c1nnc(NC(=O)OCC(C)C)s1
InChIInChI=1S/C14H17N3O3S/c1-9(2)8-20-14(18)15-13-17-16-12(21-13)10-6-4-5-7-11(10)19-3/h4-7,9H,8H2,1-3H3,(H,15,17,18)
InChIKeyWASXKSDNVWDTOJ-UHFFFAOYSA-N
XLogP3.42
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1382112
5-(2-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 748318
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
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
CID 1385839
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamic acid ethyl ester
CID 665159
Phenyl [5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 735090
[5-(4-Methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-carbamic acid ethyl ester
CID 825398
Ethyl [5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 977379
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 4252621
5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 1383759
Butyl [5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 665034

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate (CID 665124) is 2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate is COc1ccccc1-c1nnc(NC(=O)OCC(C)C)s1.
What is the InChIKey of 2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate?
The InChIKey is WASXKSDNVWDTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9(2)8-20-14(18)15-13-17-16-12(21-13)10-6-4-5-7-11(10)19-3/h4-7,9H,8H2,1-3H3,(H,15,17,18).
What are the key properties of 2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate?
2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate has a molecular weight of 307.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate is sourced from PubChem (CID 665124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).