4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one

C10H17N3OS — CID 106381807

IUPAC4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNC1(CNCc2csc(=O)[nH]2)CCCC1
InChIInChI=1S/C10H17N3OS/c11-10(3-1-2-4-10)7-12-5-8-6-15-9(14)13-8/h6,12H,1-5,7,11H2,(H,13,14)
InChIKeyPRBXWZIMHVJMKK-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.80
Rot. Bonds4

About 4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381807) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381807
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNC1(CNCc2csc(=O)[nH]2)CCCC1
InChIInChI=1S/C10H17N3OS/c11-10(3-1-2-4-10)7-12-5-8-6-15-9(14)13-8/h6,12H,1-5,7,11H2,(H,13,14)
InChIKeyPRBXWZIMHVJMKK-UHFFFAOYSA-N
XLogP0.80
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381807) is 4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one is NC1(CNCc2csc(=O)[nH]2)CCCC1.
What is the InChIKey of 4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is PRBXWZIMHVJMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c11-10(3-1-2-4-10)7-12-5-8-6-15-9(14)13-8/h6,12H,1-5,7,11H2,(H,13,14).
What are the key properties of 4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 227.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-aminocyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).