(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone

C13H12N4O2S — CID 146069133

IUPAC(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
SMILESCc1ncc2c(n1)COC21CN(C(=O)c2cscn2)C1
InChIInChI=1S/C13H12N4O2S/c1-8-14-2-9-10(16-8)3-19-13(9)5-17(6-13)12(18)11-4-20-7-15-11/h2,4,7H,3,5-6H2,1H3
InChIKeyMQOOUCQVFMGRTH-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.12
Rot. Bonds1

About (2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone

(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 146069133) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is (2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID146069133
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
SMILESCc1ncc2c(n1)COC21CN(C(=O)c2cscn2)C1
InChIInChI=1S/C13H12N4O2S/c1-8-14-2-9-10(16-8)3-19-13(9)5-17(6-13)12(18)11-4-20-7-15-11/h2,4,7H,3,5-6H2,1H3
InChIKeyMQOOUCQVFMGRTH-UHFFFAOYSA-N
XLogP1.12
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one
CID 146069158
(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 102737670
(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 146069330
(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone
CID 146069218
(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone
CID 146069308
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 135088689
[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95848612
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738
(7-ethylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone
CID 97392729
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824398
4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97450871

Frequently Asked Questions

What is the IUPAC name of (2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone (CID 146069133) is (2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone is Cc1ncc2c(n1)COC21CN(C(=O)c2cscn2)C1.
What is the InChIKey of (2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is MQOOUCQVFMGRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-8-14-2-9-10(16-8)3-19-13(9)5-17(6-13)12(18)11-4-20-7-15-11/h2,4,7H,3,5-6H2,1H3.
What are the key properties of (2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone?
(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 288.33 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 146069133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).