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

C7H10N4OS — CID 82176294

IUPACN-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESNCc1nnc(NC(=O)C2CC2)s1
InChIInChI=1S/C7H10N4OS/c8-3-5-10-11-7(13-5)9-6(12)4-1-2-4/h4H,1-3,8H2,(H,9,11,12)
InChIKeyGNJNTAZIABBELN-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.35
Rot. Bonds3

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

N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 82176294) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID82176294
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC NameN-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESNCc1nnc(NC(=O)C2CC2)s1
InChIInChI=1S/C7H10N4OS/c8-3-5-10-11-7(13-5)9-6(12)4-1-2-4/h4H,1-3,8H2,(H,9,11,12)
InChIKeyGNJNTAZIABBELN-UHFFFAOYSA-N
XLogP0.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176550
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 82176519
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 119265189
methyl 4-[5-[(3-aminocyclopentanecarbonyl)amino]-1,3,4-thiadiazol-2-yl]butanoate
CID 119796335
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 18430303
N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 108744279
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
CID 134713707

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 82176294) is N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is NCc1nnc(NC(=O)C2CC2)s1.
What is the InChIKey of N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is GNJNTAZIABBELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c8-3-5-10-11-7(13-5)9-6(12)4-1-2-4/h4H,1-3,8H2,(H,9,11,12).
What are the key properties of N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 82176294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).