N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

C15H21N3S2 — CID 62754275

IUPACN-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(Cc2ccsc2)C2CC2)s1
InChIInChI=1S/C15H21N3S2/c1-2-6-16-8-14-9-17-15(20-14)18(13-3-4-13)10-12-5-7-19-11-12/h5,7,9,11,13,16H,2-4,6,8,10H2,1H3
InChIKeyRBZFVLRGJPVYMA-UHFFFAOYSA-N
MW307.49 g/mol
LogP3.87
Rot. Bonds8

About N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 62754275) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID62754275
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC NameN-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(Cc2ccsc2)C2CC2)s1
InChIInChI=1S/C15H21N3S2/c1-2-6-16-8-14-9-17-15(20-14)18(13-3-4-13)10-12-5-7-19-11-12/h5,7,9,11,13,16H,2-4,6,8,10H2,1H3
InChIKeyRBZFVLRGJPVYMA-UHFFFAOYSA-N
XLogP3.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-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 N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (CID 62754275) is N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is CCCNCc1cnc(N(Cc2ccsc2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is RBZFVLRGJPVYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-2-6-16-8-14-9-17-15(20-14)18(13-3-4-13)10-12-5-7-19-11-12/h5,7,9,11,13,16H,2-4,6,8,10H2,1H3.
What are the key properties of N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 307.49 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62754275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).