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'}

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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).