2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione

C12H10N4O2S — CID 12500510

IUPAC2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
SMILESO=c1[nH]c(=O)c2nc(NCc3ccccc3)sc2[nH]1
InChIInChI=1S/C12H10N4O2S/c17-9-8-10(16-11(18)15-9)19-12(14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)(H2,15,16,17,18)
InChIKeyQTIXCIDJKMFOAF-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.28
Rot. Bonds3

About 2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione

2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione (PubChem CID 12500510) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
PubChem CID12500510
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
SMILESO=c1[nH]c(=O)c2nc(NCc3ccccc3)sc2[nH]1
InChIInChI=1S/C12H10N4O2S/c17-9-8-10(16-11(18)15-9)19-12(14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)(H2,15,16,17,18)
InChIKeyQTIXCIDJKMFOAF-UHFFFAOYSA-N
XLogP1.28
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2441520
N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
CID 2376092
4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide
CID 50741983
2-(benzylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82549782
1H-benzo[g]pteridine-2,4-dione
CID 5372720
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
6-(benzylamino)-2,4-dioxo-1H-thieno[3,2-d]pyrimidine-7-carbonitrile
CID 57336363
N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549040
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
2-(benzylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 3813841

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
The IUPAC name of 2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione (CID 12500510) is 2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione.
What is the SMILES notation for 2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
The canonical SMILES for 2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione is O=c1[nH]c(=O)c2nc(NCc3ccccc3)sc2[nH]1.
What is the InChIKey of 2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
The InChIKey is QTIXCIDJKMFOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c17-9-8-10(16-11(18)15-9)19-12(14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)(H2,15,16,17,18).
What are the key properties of 2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione has a molecular weight of 274.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione is sourced from PubChem (CID 12500510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).