4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one

C10H17N3OS — CID 106381918

IUPAC4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(N)(CNCc1csc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H17N3OS/c1-10(11,7-2-3-7)6-12-4-8-5-15-9(14)13-8/h5,7,12H,2-4,6,11H2,1H3,(H,13,14)
InChIKeySZHPUTLBPBAHHO-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.65
Rot. Bonds5

About 4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381918) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381918
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(N)(CNCc1csc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H17N3OS/c1-10(11,7-2-3-7)6-12-4-8-5-15-9(14)13-8/h5,7,12H,2-4,6,11H2,1H3,(H,13,14)
InChIKeySZHPUTLBPBAHHO-UHFFFAOYSA-N
XLogP0.65
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106381918) is 4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one is CC(N)(CNCc1csc(=O)[nH]1)C1CC1.
What is the InChIKey of 4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is SZHPUTLBPBAHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-10(11,7-2-3-7)6-12-4-8-5-15-9(14)13-8/h5,7,12H,2-4,6,11H2,1H3,(H,13,14).
What are the key properties of 4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 227.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-2-cyclopropylpropyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).