5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride

C13H12ClN5S — CID 175923522

IUPAC5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride
SMILESCl.Nc1ncc(-c2cccnc2)c(-c2nccs2)c1N
InChIInChI=1S/C13H11N5S.ClH/c14-11-10(13-17-4-5-19-13)9(7-18-12(11)15)8-2-1-3-16-6-8;/h1-7H,14H2,(H2,15,18);1H
InChIKeyPTWUPLASMSASDD-UHFFFAOYSA-N
MW305.79 g/mol
LogP2.85
Rot. Bonds2

About 5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride

5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride (PubChem CID 175923522) has the molecular formula C13H12ClN5S and a molecular weight of 305.79 g/mol. Its IUPAC name is 5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride.

Molecular Properties

Compound Name5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride
PubChem CID175923522
Molecular FormulaC13H12ClN5S
Molecular Weight305.79 g/mol
Exact Mass305.05
IUPAC Name5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride
SMILESCl.Nc1ncc(-c2cccnc2)c(-c2nccs2)c1N
InChIInChI=1S/C13H11N5S.ClH/c14-11-10(13-17-4-5-19-13)9(7-18-12(11)15)8-2-1-3-16-6-8;/h1-7H,14H2,(H2,15,18);1H
InChIKeyPTWUPLASMSASDD-UHFFFAOYSA-N
XLogP2.85
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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5-bromo-3-pyridin-3-ylpyridin-2-amine
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2-(2-methyl-6-phenylphenyl)-1,3-thiazole
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2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 63020540
2-pyridin-3-ylpyridine-3,4-diamine
CID 118914760
4-fluoro-2,6-dipyridin-3-ylaniline
CID 46316799
2,4-dipyridin-3-ylaniline
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3-(4-pyridin-3-ylthiophen-3-yl)pyridine
CID 46316707
6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one
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CID 142655955

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride?
The IUPAC name of 5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride (CID 175923522) is 5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride.
What is the SMILES notation for 5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride?
The canonical SMILES for 5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride is Cl.Nc1ncc(-c2cccnc2)c(-c2nccs2)c1N.
What is the InChIKey of 5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride?
The InChIKey is PTWUPLASMSASDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S.ClH/c14-11-10(13-17-4-5-19-13)9(7-18-12(11)15)8-2-1-3-16-6-8;/h1-7H,14H2,(H2,15,18);1H.
What are the key properties of 5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride?
5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride has a molecular weight of 305.79 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride is sourced from PubChem (CID 175923522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).