4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine

C8H13N3S — CID 2079395

IUPAC4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CN2CCCC2)cs1
InChIInChI=1S/C8H13N3S/c9-8-10-7(6-12-8)5-11-3-1-2-4-11/h6H,1-5H2,(H2,9,10)
InChIKeyUYCNPLJANDOZKX-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.32
Rot. Bonds2

About 4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine

4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 2079395) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine
PubChem CID2079395
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CN2CCCC2)cs1
InChIInChI=1S/C8H13N3S/c9-8-10-7(6-12-8)5-11-3-1-2-4-11/h6H,1-5H2,(H2,9,10)
InChIKeyUYCNPLJANDOZKX-UHFFFAOYSA-N
XLogP1.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine (CID 2079395) is 4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine is Nc1nc(CN2CCCC2)cs1.
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is UYCNPLJANDOZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-8-10-7(6-12-8)5-11-3-1-2-4-11/h6H,1-5H2,(H2,9,10).
What are the key properties of 4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine?
4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 183.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2079395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).