5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine

C9H8ClN3S2 — CID 43250005

IUPAC5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2ccc(Cl)nc2)s1
InChIInChI=1S/C9H8ClN3S2/c10-7-2-1-6(3-12-7)5-14-8-4-13-9(11)15-8/h1-4H,5H2,(H2,11,13)
InChIKeyVPTLMFRGDVFZBK-UHFFFAOYSA-N
MW257.77 g/mol
LogP3.07
Rot. Bonds3

About 5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine

5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43250005) has the molecular formula C9H8ClN3S2 and a molecular weight of 257.77 g/mol. Its IUPAC name is 5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43250005
Molecular FormulaC9H8ClN3S2
Molecular Weight257.77 g/mol
Exact Mass256.98
IUPAC Name5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2ccc(Cl)nc2)s1
InChIInChI=1S/C9H8ClN3S2/c10-7-2-1-6(3-12-7)5-14-8-4-13-9(11)15-8/h1-4H,5H2,(H2,11,13)
InChIKeyVPTLMFRGDVFZBK-UHFFFAOYSA-N
XLogP3.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(6-chloro-3-pyridinyl)methylsulfanyl]-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

4-[(6-chloro-3-pyridinyl)methylsulfanyl]aniline
CID 20537892
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazole
CID 60553360
5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 28782689
5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine
CID 24706082
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249855
5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 28782682
3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide
CID 24692167
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249825
2-chloro-5-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 31047768
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine
CID 60716308
2-chloro-5-[(3-chlorophenyl)sulfanylmethyl]pyridine
CID 60620513
5-[(1-benzyltetrazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43249746

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine (CID 43250005) is 5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine is Nc1ncc(SCc2ccc(Cl)nc2)s1.
What is the InChIKey of 5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is VPTLMFRGDVFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S2/c10-7-2-1-6(3-12-7)5-14-8-4-13-9(11)15-8/h1-4H,5H2,(H2,11,13).
What are the key properties of 5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine?
5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 257.77 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43250005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).