4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide

C19H16N6OS — CID 77014395

IUPAC4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(Nc4nccs4)c3)ncnc12
InChIInChI=1S/C19H16N6OS/c20-17(26)14-5-2-6-15-16(14)23-11-24-18(15)22-10-12-3-1-4-13(9-12)25-19-21-7-8-27-19/h1-9,11H,10H2,(H2,20,26)(H,21,25)(H,22,23,24)
InChIKeyPJXUDKNHESNHGD-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.54
Rot. Bonds6

About 4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 77014395) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID77014395
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(Nc4nccs4)c3)ncnc12
InChIInChI=1S/C19H16N6OS/c20-17(26)14-5-2-6-15-16(14)23-11-24-18(15)22-10-12-3-1-4-13(9-12)25-19-21-7-8-27-19/h1-9,11H,10H2,(H2,20,26)(H,21,25)(H,22,23,24)
InChIKeyPJXUDKNHESNHGD-UHFFFAOYSA-N
XLogP3.54
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide (CID 77014395) is 4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cccc(Nc4nccs4)c3)ncnc12.
What is the InChIKey of 4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is PJXUDKNHESNHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c20-17(26)14-5-2-6-15-16(14)23-11-24-18(15)22-10-12-3-1-4-13(9-12)25-19-21-7-8-27-19/h1-9,11H,10H2,(H2,20,26)(H,21,25)(H,22,23,24).
What are the key properties of 4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1,3-thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 77014395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).