3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine

C12H14ClN3S — CID 43707585

IUPAC3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NCc1ccc(Cl)s1
InChIInChI=1S/C12H14ClN3S/c1-16(2)12-10(4-3-7-14-12)15-8-9-5-6-11(13)17-9/h3-7,15H,8H2,1-2H3
InChIKeyNDGCRHIHZJJIAU-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.47
Rot. Bonds4

About 3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine

3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 43707585) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID43707585
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NCc1ccc(Cl)s1
InChIInChI=1S/C12H14ClN3S/c1-16(2)12-10(4-3-7-14-12)15-8-9-5-6-11(13)17-9/h3-7,15H,8H2,1-2H3
InChIKeyNDGCRHIHZJJIAU-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707777
3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
3-N-(furan-3-ylmethyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 63204353
3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103275724
3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 55067063
2-N,2-N-dimethyl-3-N-propylpyridine-2,3-diamine
CID 43707989
3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103096855
1-N-[(5-chlorothiophen-2-yl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43676884
3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784216
2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine
CID 43784242
3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707987
4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43707745

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine (CID 43707585) is 3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine is CN(C)c1ncccc1NCc1ccc(Cl)s1.
What is the InChIKey of 3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is NDGCRHIHZJJIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-16(2)12-10(4-3-7-14-12)15-8-9-5-6-11(13)17-9/h3-7,15H,8H2,1-2H3.
What are the key properties of 3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 267.79 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 43707585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).