1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine

C19H14N4OS — CID 143958022

IUPAC1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CS1)c1ccccc1Oc1cccc(-c3cncnc3)c12
InChIInChI=1S/C19H14N4OS/c20-18-23-19(10-25-18)14-5-1-2-6-15(14)24-16-7-3-4-13(17(16)19)12-8-21-11-22-9-12/h1-9,11H,10H2,(H2,20,23)
InChIKeyAKFWBBWOJXIMAS-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.55
Rot. Bonds1

About 1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine

1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine (PubChem CID 143958022) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
PubChem CID143958022
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CS1)c1ccccc1Oc1cccc(-c3cncnc3)c12
InChIInChI=1S/C19H14N4OS/c20-18-23-19(10-25-18)14-5-1-2-6-15(14)24-16-7-3-4-13(17(16)19)12-8-21-11-22-9-12/h1-9,11H,10H2,(H2,20,23)
InChIKeyAKFWBBWOJXIMAS-UHFFFAOYSA-N
XLogP3.55
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-fluoro-2'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 68577336
2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol
CID 58466141
(4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 59272337
(4aR)-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,4'-5H-1,3-thiazole]-2'-amine
CID 67950041
(4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 98008511
(4S)-7'-(2-fluoro-3-pyridinyl)-3'-pyrimidin-2-ylspiro[5H-1,3-thiazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 58466117
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 59596313
7'-(2-fluoro-3-pyridinyl)-3'-(oxan-4-yl)spiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67383033
(4aS,10R,10aS)-8-pyrimidin-5-ylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,4'-5H-1,3-thiazole]-2'-amine
CID 67971881
methoxy(spiro[5H-1,3-thiazole-4,9'-xanthene]-2-yl)carbamic acid
CID 151361828
(4S)-4-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
CID 118305812
(4S)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466160

Frequently Asked Questions

What is the IUPAC name of 1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The IUPAC name of 1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine (CID 143958022) is 1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine is NC1=NC2(CS1)c1ccccc1Oc1cccc(-c3cncnc3)c12.
What is the InChIKey of 1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The InChIKey is AKFWBBWOJXIMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c20-18-23-19(10-25-18)14-5-1-2-6-15(14)24-16-7-3-4-13(17(16)19)12-8-21-11-22-9-12/h1-9,11H,10H2,(H2,20,23).
What are the key properties of 1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine has a molecular weight of 346.42 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-pyrimidin-5-ylspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 143958022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).