N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

C8H11N3O2S — CID 19202988

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCOCc1nnc(NC(=O)C2CC2)s1
InChIInChI=1S/C8H11N3O2S/c1-13-4-6-10-11-8(14-6)9-7(12)5-2-3-5/h5H,2-4H2,1H3,(H,9,11,12)
InChIKeyJOXIXNFFBBHUCG-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.03
Rot. Bonds4

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 19202988) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID19202988
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCOCc1nnc(NC(=O)C2CC2)s1
InChIInChI=1S/C8H11N3O2S/c1-13-4-6-10-11-8(14-6)9-7(12)5-2-3-5/h5H,2-4H2,1H3,(H,9,11,12)
InChIKeyJOXIXNFFBBHUCG-UHFFFAOYSA-N
XLogP1.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176294
(3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 94857759
(3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94857964
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 734582
1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide
CID 53369995
(2R)-2-chloro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 92660576
(3S)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7268966
N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 858231
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 3164035
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176550
methyl 4-[5-[(3-aminocyclopentanecarbonyl)amino]-1,3,4-thiadiazol-2-yl]butanoate
CID 119796335

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 19202988) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is COCc1nnc(NC(=O)C2CC2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is JOXIXNFFBBHUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-13-4-6-10-11-8(14-6)9-7(12)5-2-3-5/h5H,2-4H2,1H3,(H,9,11,12).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 213.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 19202988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).