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

C11H13ClN4S — CID 107123923

IUPAC3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NCc1ncc(Cl)s1
InChIInChI=1S/C11H13ClN4S/c1-16(2)9-3-4-13-5-8(9)14-7-11-15-6-10(12)17-11/h3-6,14H,7H2,1-2H3
InChIKeyDMPAAFCFZYYSHW-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.87
Rot. Bonds4

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

3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 107123923) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID107123923
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NCc1ncc(Cl)s1
InChIInChI=1S/C11H13ClN4S/c1-16(2)9-3-4-13-5-8(9)14-7-11-15-6-10(12)17-11/h3-6,14H,7H2,1-2H3
InChIKeyDMPAAFCFZYYSHW-UHFFFAOYSA-N
XLogP2.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine (CID 107123923) is 3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine is CN(C)c1ccncc1NCc1ncc(Cl)s1.
What is the InChIKey of 3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is DMPAAFCFZYYSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-16(2)9-3-4-13-5-8(9)14-7-11-15-6-10(12)17-11/h3-6,14H,7H2,1-2H3.
What are the key properties of 3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 268.77 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 107123923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).