1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide

C8H12N4OS — CID 114912238

IUPAC1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2cnns2)CCC1
InChIInChI=1S/C8H12N4OS/c9-5-8(2-1-3-8)7(13)11-6-4-10-12-14-6/h4H,1-3,5,9H2,(H,11,13)
InChIKeyAMZKCRDKYHWBPN-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.61
Rot. Bonds3

About 1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide (PubChem CID 114912238) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide
PubChem CID114912238
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2cnns2)CCC1
InChIInChI=1S/C8H12N4OS/c9-5-8(2-1-3-8)7(13)11-6-4-10-12-14-6/h4H,1-3,5,9H2,(H,11,13)
InChIKeyAMZKCRDKYHWBPN-UHFFFAOYSA-N
XLogP0.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 114912664
2-(1-aminocyclopentyl)-N-(thiadiazol-5-yl)acetamide
CID 114912339
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide
CID 107588384
4-amino-3-methyl-N-(thiadiazol-5-yl)oxolane-3-carboxamide
CID 114912292
(1S)-2,2-dimethyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 130711107
1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide
CID 80587976
(2S)-2-amino-N-(thiadiazol-5-yl)butanamide
CID 104982933
2,2-dimethyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 130977857
(2R)-2-methylsulfanyl-N-(thiadiazol-5-yl)propanamide
CID 99794343
1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
CID 115443706
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide (CID 114912238) is 1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide is NCC1(C(=O)Nc2cnns2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide?
The InChIKey is AMZKCRDKYHWBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c9-5-8(2-1-3-8)7(13)11-6-4-10-12-14-6/h4H,1-3,5,9H2,(H,11,13).
What are the key properties of 1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide has a molecular weight of 212.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114912238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).