N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide

C14H15N7O2S2 — CID 19147594

IUPACN'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(Nc3nccs3)c2N)cc1
InChIInChI=1S/C14H15N7O2S2/c1-9-2-4-10(5-3-9)25(22,23)21-20-13-11(15)12(17-8-18-13)19-14-16-6-7-24-14/h2-8,21H,15H2,1H3,(H2,16,17,18,19,20)
InChIKeyYVMYRRFBNBUCAE-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.87
Rot. Bonds6

About N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide

N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide (PubChem CID 19147594) has the molecular formula C14H15N7O2S2 and a molecular weight of 377.46 g/mol. Its IUPAC name is N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
PubChem CID19147594
Molecular FormulaC14H15N7O2S2
Molecular Weight377.46 g/mol
Exact Mass377.07
IUPAC NameN'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(Nc3nccs3)c2N)cc1
InChIInChI=1S/C14H15N7O2S2/c1-9-2-4-10(5-3-9)25(22,23)21-20-13-11(15)12(17-8-18-13)19-14-16-6-7-24-14/h2-8,21H,15H2,1H3,(H2,16,17,18,19,20)
InChIKeyYVMYRRFBNBUCAE-UHFFFAOYSA-N
XLogP1.87
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The IUPAC name of N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide (CID 19147594) is N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNc2ncnc(Nc3nccs3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The InChIKey is YVMYRRFBNBUCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S2/c1-9-2-4-10(5-3-9)25(22,23)21-20-13-11(15)12(17-8-18-13)19-14-16-6-7-24-14/h2-8,21H,15H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide has a molecular weight of 377.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 19147594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).