2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate

C8H13N3O2S — CID 660483

IUPAC2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate
SMILESCc1nnsc1NC(=O)OCC(C)C
InChIInChI=1S/C8H13N3O2S/c1-5(2)4-13-8(12)9-7-6(3)10-11-14-7/h5H,4H2,1-3H3,(H,9,12)
InChIKeyXPCMWGLXXBNAAY-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.05
Rot. Bonds3

About 2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate

2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate (PubChem CID 660483) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate
PubChem CID660483
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate
SMILESCc1nnsc1NC(=O)OCC(C)C
InChIInChI=1S/C8H13N3O2S/c1-5(2)4-13-8(12)9-7-6(3)10-11-14-7/h5H,4H2,1-3H3,(H,9,12)
InChIKeyXPCMWGLXXBNAAY-UHFFFAOYSA-N
XLogP2.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
(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
2-methylpropyl N-(3,4-dimethylthiadiazol-3-ium-5-yl)carbamate
CID 117588785
propyl N-(4-methylthiadiazol-5-yl)carbamate
CID 130009519

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate (CID 660483) is 2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate is Cc1nnsc1NC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate?
The InChIKey is XPCMWGLXXBNAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(2)4-13-8(12)9-7-6(3)10-11-14-7/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of 2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate?
2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate has a molecular weight of 215.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(4-methylthiadiazol-5-yl)carbamate is sourced from PubChem (CID 660483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).