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

C16H20N4OS — CID 146069416

IUPAC1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESCCCc1ncc2c(n1)COC21CN(Cc2scnc2C)C1
InChIInChI=1S/C16H20N4OS/c1-3-4-15-17-5-12-13(19-15)7-21-16(12)8-20(9-16)6-14-11(2)18-10-22-14/h5,10H,3-4,6-9H2,1-2H3
InChIKeyPEVOSIKYHVDLCK-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.44
Rot. Bonds4

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

1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (PubChem CID 146069416) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].

Molecular Properties

Compound Name1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
PubChem CID146069416
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESCCCc1ncc2c(n1)COC21CN(Cc2scnc2C)C1
InChIInChI=1S/C16H20N4OS/c1-3-4-15-17-5-12-13(19-15)7-21-16(12)8-20(9-16)6-14-11(2)18-10-22-14/h5,10H,3-4,6-9H2,1-2H3
InChIKeyPEVOSIKYHVDLCK-UHFFFAOYSA-N
XLogP2.44
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069438
4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
CID 24930897
2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one
CID 146069158
5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64953207
9-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 131922228
2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069229
4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816
(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 146069133
4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 110114381
2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 172908778
8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78962635
(2R)-N,N,2-trimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124946658

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The IUPAC name of 1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (CID 146069416) is 1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].
What is the SMILES notation for 1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The canonical SMILES for 1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is CCCc1ncc2c(n1)COC21CN(Cc2scnc2C)C1.
What is the InChIKey of 1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The InChIKey is PEVOSIKYHVDLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-3-4-15-17-5-12-13(19-15)7-21-16(12)8-20(9-16)6-14-11(2)18-10-22-14/h5,10H,3-4,6-9H2,1-2H3.
What are the key properties of 1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] has a molecular weight of 316.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is sourced from PubChem (CID 146069416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).