3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide

C7H11N5OS — CID 114912484

IUPAC3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide
SMILESO=C(CCNC1CC1)Nc1nnns1
InChIInChI=1S/C7H11N5OS/c13-6(3-4-8-5-1-2-5)9-7-10-11-12-14-7/h5,8H,1-4H2,(H,9,10,12,13)
InChIKeyDTFFRXOKTWUPAB-UHFFFAOYSA-N
MW213.27 g/mol
LogP0.01
Rot. Bonds5

About 3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide

3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide (PubChem CID 114912484) has the molecular formula C7H11N5OS and a molecular weight of 213.27 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide
PubChem CID114912484
Molecular FormulaC7H11N5OS
Molecular Weight213.27 g/mol
Exact Mass213.07
IUPAC Name3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide
SMILESO=C(CCNC1CC1)Nc1nnns1
InChIInChI=1S/C7H11N5OS/c13-6(3-4-8-5-1-2-5)9-7-10-11-12-14-7/h5,8H,1-4H2,(H,9,10,12,13)
InChIKeyDTFFRXOKTWUPAB-UHFFFAOYSA-N
XLogP0.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide (CID 114912484) is 3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide is O=C(CCNC1CC1)Nc1nnns1.
What is the InChIKey of 3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide?
The InChIKey is DTFFRXOKTWUPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5OS/c13-6(3-4-8-5-1-2-5)9-7-10-11-12-14-7/h5,8H,1-4H2,(H,9,10,12,13).
What are the key properties of 3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide?
3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide has a molecular weight of 213.27 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide is sourced from PubChem (CID 114912484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).