3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine

C12H14ClN3S — CID 106007348

IUPAC3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine
SMILESCCc1ccc(CNc2ncc(N)cc2Cl)s1
InChIInChI=1S/C12H14ClN3S/c1-2-9-3-4-10(17-9)7-16-12-11(13)5-8(14)6-15-12/h3-6H,2,7,14H2,1H3,(H,15,16)
InChIKeyNNOBHJNMOVWOQZ-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.55
Rot. Bonds4

About 3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine

3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine (PubChem CID 106007348) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine
PubChem CID106007348
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine
SMILESCCc1ccc(CNc2ncc(N)cc2Cl)s1
InChIInChI=1S/C12H14ClN3S/c1-2-9-3-4-10(17-9)7-16-12-11(13)5-8(14)6-15-12/h3-6H,2,7,14H2,1H3,(H,15,16)
InChIKeyNNOBHJNMOVWOQZ-UHFFFAOYSA-N
XLogP3.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114136292
3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106013087
5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine
CID 106015386
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106014067
4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 28993341
4-N-[(5-ethylthiophen-2-yl)methyl]-5-methylpyrimidine-4,6-diamine
CID 114137465
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773
N-[(5-ethylthiophen-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 104840172
2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65467227
3-chloro-2-N-methylpyridine-2,5-diamine
CID 23112230
5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide
CID 62057948
3-chloro-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 106035405

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine (CID 106007348) is 3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine is CCc1ccc(CNc2ncc(N)cc2Cl)s1.
What is the InChIKey of 3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine?
The InChIKey is NNOBHJNMOVWOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-2-9-3-4-10(17-9)7-16-12-11(13)5-8(14)6-15-12/h3-6H,2,7,14H2,1H3,(H,15,16).
What are the key properties of 3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine?
3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine has a molecular weight of 267.78 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 106007348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).