4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide

C9H17N3OS — CID 82509153

IUPAC4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide
SMILESNCC1CSCN1C(=O)NC1CCC1
InChIInChI=1S/C9H17N3OS/c10-4-8-5-14-6-12(8)9(13)11-7-2-1-3-7/h7-8H,1-6,10H2,(H,11,13)
InChIKeyBIFJYKGMKFACCZ-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.58
Rot. Bonds2

About 4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide

4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide (PubChem CID 82509153) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide
PubChem CID82509153
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide
SMILESNCC1CSCN1C(=O)NC1CCC1
InChIInChI=1S/C9H17N3OS/c10-4-8-5-14-6-12(8)9(13)11-7-2-1-3-7/h7-8H,1-6,10H2,(H,11,13)
InChIKeyBIFJYKGMKFACCZ-UHFFFAOYSA-N
XLogP0.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide (CID 82509153) is 4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide is NCC1CSCN1C(=O)NC1CCC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide?
The InChIKey is BIFJYKGMKFACCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c10-4-8-5-14-6-12(8)9(13)11-7-2-1-3-7/h7-8H,1-6,10H2,(H,11,13).
What are the key properties of 4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide?
4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide has a molecular weight of 215.32 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclobutyl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 82509153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).