1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine

C13H11N5S — CID 123214519

IUPAC1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine
SMILESc1cnc(Nc2ccccc2Nc2nccs2)nc1
InChIInChI=1S/C13H11N5S/c1-2-5-11(18-13-16-8-9-19-13)10(4-1)17-12-14-6-3-7-15-12/h1-9H,(H,16,18)(H,14,15,17)
InChIKeyFFQZLUWCYXWFMB-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.42
Rot. Bonds4

About 1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine

1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine (PubChem CID 123214519) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine
PubChem CID123214519
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC Name1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine
SMILESc1cnc(Nc2ccccc2Nc2nccs2)nc1
InChIInChI=1S/C13H11N5S/c1-2-5-11(18-13-16-8-9-19-13)10(4-1)17-12-14-6-3-7-15-12/h1-9H,(H,16,18)(H,14,15,17)
InChIKeyFFQZLUWCYXWFMB-UHFFFAOYSA-N
XLogP3.42
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 82537266
N-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-amine
CID 91534267
N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 90988497
N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,3-thiazol-2-amine
CID 159505211
2-(methylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 55044038
N-[2-(aminomethyl)phenyl]pyrimidin-2-amine
CID 63760524
3-hydrazinyl-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 103300842
3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865
2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 125483975
N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 142712821
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522

Frequently Asked Questions

What is the IUPAC name of 1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine?
The IUPAC name of 1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine (CID 123214519) is 1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine?
The canonical SMILES for 1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine is c1cnc(Nc2ccccc2Nc2nccs2)nc1.
What is the InChIKey of 1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine?
The InChIKey is FFQZLUWCYXWFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-2-5-11(18-13-16-8-9-19-13)10(4-1)17-12-14-6-3-7-15-12/h1-9H,(H,16,18)(H,14,15,17).
What are the key properties of 1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine?
1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine has a molecular weight of 269.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pyrimidin-2-yl-2-N-(1,3-thiazol-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 123214519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).