N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine

C9H11N3S3 — CID 79774235

IUPACN-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2nccs2)s1
InChIInChI=1S/C9H11N3S3/c1-2-10-8-12-5-7(15-8)6-14-9-11-3-4-13-9/h3-5H,2,6H2,1H3,(H,10,12)
InChIKeyRYXBOQCTULQSTP-UHFFFAOYSA-N
MW257.41 g/mol
LogP3.32
Rot. Bonds5

About N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine

N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine (PubChem CID 79774235) has the molecular formula C9H11N3S3 and a molecular weight of 257.41 g/mol. Its IUPAC name is N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
PubChem CID79774235
Molecular FormulaC9H11N3S3
Molecular Weight257.41 g/mol
Exact Mass257.01
IUPAC NameN-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2nccs2)s1
InChIInChI=1S/C9H11N3S3/c1-2-10-8-12-5-7(15-8)6-14-9-11-3-4-13-9/h3-5H,2,6H2,1H3,(H,10,12)
InChIKeyRYXBOQCTULQSTP-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-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

Related Compounds

N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 115383643
N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79773840
5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 119042413
N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79774889
N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine
CID 107756577
3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol
CID 79774435
4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 79774994
N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79775172
N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774146
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774044
5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole
CID 130670824
N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655030

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine (CID 79774235) is N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine is CCNc1ncc(CSc2nccs2)s1.
What is the InChIKey of N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The InChIKey is RYXBOQCTULQSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S3/c1-2-10-8-12-5-7(15-8)6-14-9-11-3-4-13-9/h3-5H,2,6H2,1H3,(H,10,12).
What are the key properties of N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine?
N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine has a molecular weight of 257.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).