6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine

C11H13ClN4S — CID 104924252

IUPAC6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine
SMILESCc1ncsc1CN(C)c1cc(N)cc(Cl)n1
InChIInChI=1S/C11H13ClN4S/c1-7-9(17-6-14-7)5-16(2)11-4-8(13)3-10(12)15-11/h3-4,6H,5H2,1-2H3,(H2,13,15)
InChIKeySXBHXXGCUYUFKT-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.72
Rot. Bonds3

About 6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine

6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine (PubChem CID 104924252) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine
PubChem CID104924252
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine
SMILESCc1ncsc1CN(C)c1cc(N)cc(Cl)n1
InChIInChI=1S/C11H13ClN4S/c1-7-9(17-6-14-7)5-16(2)11-4-8(13)3-10(12)15-11/h3-4,6H,5H2,1-2H3,(H2,13,15)
InChIKeySXBHXXGCUYUFKT-UHFFFAOYSA-N
XLogP2.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine 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

6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 78952189
2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562642
2-cyclopropyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80959527
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
CID 63842762
4-amino-2,6-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63841886
2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80839437
6-chloro-N,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 63838232
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carbothioamide
CID 55260386
4,5-difluoro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 112751823
5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63842233
5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63842918
5-(aminomethyl)-3-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63837907

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine (CID 104924252) is 6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine is Cc1ncsc1CN(C)c1cc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine?
The InChIKey is SXBHXXGCUYUFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-7-9(17-6-14-7)5-16(2)11-4-8(13)3-10(12)15-11/h3-4,6H,5H2,1-2H3,(H2,13,15).
What are the key properties of 6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine?
6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine has a molecular weight of 268.77 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 104924252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).