N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine

C10H17N3S — CID 67833541

IUPACN-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine
SMILESC=Nc1nc(NCCCCCC)cs1
InChIInChI=1S/C10H17N3S/c1-3-4-5-6-7-12-9-8-14-10(11-2)13-9/h8,12H,2-7H2,1H3
InChIKeyGPYZDLKCMHQLIW-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.47
Rot. Bonds7

About N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine

N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine (PubChem CID 67833541) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine
PubChem CID67833541
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine
SMILESC=Nc1nc(NCCCCCC)cs1
InChIInChI=1S/C10H17N3S/c1-3-4-5-6-7-12-9-8-14-10(11-2)13-9/h8,12H,2-7H2,1H3
InChIKeyGPYZDLKCMHQLIW-UHFFFAOYSA-N
XLogP3.47
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-hexyl-2-(methylideneamino)-1,3-thiazol-4-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-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine?
The IUPAC name of N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine (CID 67833541) is N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine.
What is the SMILES notation for N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine?
The canonical SMILES for N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine is C=Nc1nc(NCCCCCC)cs1.
What is the InChIKey of N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine?
The InChIKey is GPYZDLKCMHQLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-4-5-6-7-12-9-8-14-10(11-2)13-9/h8,12H,2-7H2,1H3.
What are the key properties of N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine?
N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine has a molecular weight of 211.33 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(methylideneamino)-1,3-thiazol-4-amine is sourced from PubChem (CID 67833541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).