propyl N-(4-methylthiadiazol-5-yl)carbamate

C7H11N3O2S — CID 130009519

IUPACpropyl N-(4-methylthiadiazol-5-yl)carbamate
SMILESCCCOC(=O)Nc1snnc1C
InChIInChI=1S/C7H11N3O2S/c1-3-4-12-7(11)8-6-5(2)9-10-13-6/h3-4H2,1-2H3,(H,8,11)
InChIKeyBBQITIYRWIUNHI-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.81
Rot. Bonds3

About propyl N-(4-methylthiadiazol-5-yl)carbamate

propyl N-(4-methylthiadiazol-5-yl)carbamate (PubChem CID 130009519) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is propyl N-(4-methylthiadiazol-5-yl)carbamate.

Molecular Properties

Compound Namepropyl N-(4-methylthiadiazol-5-yl)carbamate
PubChem CID130009519
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Namepropyl N-(4-methylthiadiazol-5-yl)carbamate
SMILESCCCOC(=O)Nc1snnc1C
InChIInChI=1S/C7H11N3O2S/c1-3-4-12-7(11)8-6-5(2)9-10-13-6/h3-4H2,1-2H3,(H,8,11)
InChIKeyBBQITIYRWIUNHI-UHFFFAOYSA-N
XLogP1.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-5-thiadiazolyl)carbamic acid 2-methylpropyl ester
CID 660483
neopentyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamate
CID 1479489
2-chloroethyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamate
CID 3791835
methyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamate
CID 1479490
allyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamate
CID 3770898
methyl N-[4-(trifluoromethyl)thiadiazol-5-yl]carbamate
CID 134096775
(4-Methylthiadiazol-5-yl)carbamic acid
CID 20532032
tert-butyl N-(4-methylthiadiazol-5-yl)carbamate
CID 70574163
ethyl N-(3-methoxy-4-methylthiadiazol-3-ium-5-yl)carbamate
CID 3403981
ethyl N-(4-methyl-3-oxidothiadiazol-3-ium-5-yl)carbamate
CID 3732775
propan-2-yl N-(4-methyl-3-oxidothiadiazol-3-ium-5-yl)carbamate
CID 4921265
ethyl N-(3,4-dimethylthiadiazol-3-ium-5-yl)carbamate
CID 5149875

Frequently Asked Questions

What is the IUPAC name of propyl N-(4-methylthiadiazol-5-yl)carbamate?
The IUPAC name of propyl N-(4-methylthiadiazol-5-yl)carbamate (CID 130009519) is propyl N-(4-methylthiadiazol-5-yl)carbamate.
What is the SMILES notation for propyl N-(4-methylthiadiazol-5-yl)carbamate?
The canonical SMILES for propyl N-(4-methylthiadiazol-5-yl)carbamate is CCCOC(=O)Nc1snnc1C.
What is the InChIKey of propyl N-(4-methylthiadiazol-5-yl)carbamate?
The InChIKey is BBQITIYRWIUNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-4-12-7(11)8-6-5(2)9-10-13-6/h3-4H2,1-2H3,(H,8,11).
What are the key properties of propyl N-(4-methylthiadiazol-5-yl)carbamate?
propyl N-(4-methylthiadiazol-5-yl)carbamate has a molecular weight of 201.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(4-methylthiadiazol-5-yl)carbamate is sourced from PubChem (CID 130009519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).