N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine

C17H16Cl2N8OS — CID 88583483

IUPACN-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine
SMILESNc1nc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)sc1NO
InChIInChI=1S/C17H16Cl2N8OS/c18-9-1-2-10(11(19)7-9)12-8-13-21-5-6-27(13)16(24-12)22-3-4-23-17-25-14(20)15(26-28)29-17/h1-2,5-8,26,28H,3-4,20H2,(H,22,24)(H,23,25)
InChIKeyTVIZMFKSKQFBAT-UHFFFAOYSA-N
MW451.34 g/mol
LogP4.07
Rot. Bonds7

About N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine

N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine (PubChem CID 88583483) has the molecular formula C17H16Cl2N8OS and a molecular weight of 451.34 g/mol. Its IUPAC name is N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine
PubChem CID88583483
Molecular FormulaC17H16Cl2N8OS
Molecular Weight451.34 g/mol
Exact Mass450.05
IUPAC NameN-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine
SMILESNc1nc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)sc1NO
InChIInChI=1S/C17H16Cl2N8OS/c18-9-1-2-10(11(19)7-9)12-8-13-21-5-6-27(13)16(24-12)22-3-4-23-17-25-14(20)15(26-28)29-17/h1-2,5-8,26,28H,3-4,20H2,(H,22,24)(H,23,25)
InChIKeyTVIZMFKSKQFBAT-UHFFFAOYSA-N
XLogP4.07
TPSA125.42 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 54.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine?
The IUPAC name of N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine (CID 88583483) is N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine.
What is the SMILES notation for N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine?
The canonical SMILES for N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine is Nc1nc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)sc1NO.
What is the InChIKey of N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine?
The InChIKey is TVIZMFKSKQFBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N8OS/c18-9-1-2-10(11(19)7-9)12-8-13-21-5-6-27(13)16(24-12)22-3-4-23-17-25-14(20)15(26-28)29-17/h1-2,5-8,26,28H,3-4,20H2,(H,22,24)(H,23,25).
What are the key properties of N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine?
N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine has a molecular weight of 451.34 g/mol, XLogP of 4.07, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-1,3-thiazol-5-yl]hydroxylamine is sourced from PubChem (CID 88583483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).