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

C5H7N3O2S — CID 1479490

IUPACmethyl N-(4-methylthiadiazol-5-yl)carbamate
SMILESCOC(=O)Nc1snnc1C
InChIInChI=1S/C5H7N3O2S/c1-3-4(11-8-7-3)6-5(9)10-2/h1-2H3,(H,6,9)
InChIKeyGFBNSCPPTRWLFH-UHFFFAOYSA-N
MW173.20 g/mol
LogP1.02
Rot. Bonds1

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

methyl N-(4-methylthiadiazol-5-yl)carbamate (PubChem CID 1479490) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is methyl N-(4-methylthiadiazol-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-methylthiadiazol-5-yl)carbamate
PubChem CID1479490
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Namemethyl N-(4-methylthiadiazol-5-yl)carbamate
SMILESCOC(=O)Nc1snnc1C
InChIInChI=1S/C5H7N3O2S/c1-3-4(11-8-7-3)6-5(9)10-2/h1-2H3,(H,6,9)
InChIKeyGFBNSCPPTRWLFH-UHFFFAOYSA-N
XLogP1.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 51.02
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
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
(4-Methylthiadiazol-5-yl)urea
CID 70510727
tert-butyl N-(4-methylthiadiazol-5-yl)carbamate
CID 70574163
N-(4-methylthiadiazol-5-yl)formamide
CID 174548107
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

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methylthiadiazol-5-yl)carbamate?
The IUPAC name of methyl N-(4-methylthiadiazol-5-yl)carbamate (CID 1479490) is methyl N-(4-methylthiadiazol-5-yl)carbamate.
What is the SMILES notation for methyl N-(4-methylthiadiazol-5-yl)carbamate?
The canonical SMILES for methyl N-(4-methylthiadiazol-5-yl)carbamate is COC(=O)Nc1snnc1C.
What is the InChIKey of methyl N-(4-methylthiadiazol-5-yl)carbamate?
The InChIKey is GFBNSCPPTRWLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-3-4(11-8-7-3)6-5(9)10-2/h1-2H3,(H,6,9).
What are the key properties of methyl N-(4-methylthiadiazol-5-yl)carbamate?
methyl N-(4-methylthiadiazol-5-yl)carbamate has a molecular weight of 173.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methylthiadiazol-5-yl)carbamate is sourced from PubChem (CID 1479490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).