N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide

C19H15N5O2S — CID 10193946

IUPACN-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2nc(Nc3cscn3)c3ccccc3n2)cc1
InChIInChI=1S/C19H15N5O2S/c1-12(25)21-13-6-8-14(9-7-13)26-19-22-16-5-3-2-4-15(16)18(24-19)23-17-10-27-11-20-17/h2-11H,1H3,(H,21,25)(H,22,23,24)
InChIKeyZUYAOTTWKWKMPQ-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.58
Rot. Bonds5

About N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide

N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide (PubChem CID 10193946) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide
PubChem CID10193946
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC NameN-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2nc(Nc3cscn3)c3ccccc3n2)cc1
InChIInChI=1S/C19H15N5O2S/c1-12(25)21-13-6-8-14(9-7-13)26-19-22-16-5-3-2-4-15(16)18(24-19)23-17-10-27-11-20-17/h2-11H,1H3,(H,21,25)(H,22,23,24)
InChIKeyZUYAOTTWKWKMPQ-UHFFFAOYSA-N
XLogP4.58
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?
The IUPAC name of N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide (CID 10193946) is N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2nc(Nc3cscn3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?
The InChIKey is ZUYAOTTWKWKMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-12(25)21-13-6-8-14(9-7-13)26-19-22-16-5-3-2-4-15(16)18(24-19)23-17-10-27-11-20-17/h2-11H,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?
N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide has a molecular weight of 377.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 10193946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).