4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine

C10H12ClN3S2 — CID 65485255

IUPAC4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCNCc2ccc(Cl)s2)cs1
InChIInChI=1S/C10H12ClN3S2/c11-9-2-1-8(16-9)5-13-4-3-7-6-15-10(12)14-7/h1-2,6,13H,3-5H2,(H2,12,14)
InChIKeyXIJBLBGHUFRPIP-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.77
Rot. Bonds5

About 4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine

4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65485255) has the molecular formula C10H12ClN3S2 and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine
PubChem CID65485255
Molecular FormulaC10H12ClN3S2
Molecular Weight273.81 g/mol
Exact Mass273.02
IUPAC Name4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCNCc2ccc(Cl)s2)cs1
InChIInChI=1S/C10H12ClN3S2/c11-9-2-1-8(16-9)5-13-4-3-7-6-15-10(12)14-7/h1-2,6,13H,3-5H2,(H2,12,14)
InChIKeyXIJBLBGHUFRPIP-UHFFFAOYSA-N
XLogP2.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-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-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine (CID 65485255) is 4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine is Nc1nc(CCNCc2ccc(Cl)s2)cs1.
What is the InChIKey of 4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is XIJBLBGHUFRPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S2/c11-9-2-1-8(16-9)5-13-4-3-7-6-15-10(12)14-7/h1-2,6,13H,3-5H2,(H2,12,14).
What are the key properties of 4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine?
4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 273.81 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65485255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).