1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine

C12H13N3OS — CID 141092080

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine
SMILESCc1nc(CN2COCc3cccnc32)cs1
InChIInChI=1S/C12H13N3OS/c1-9-14-11(7-17-9)5-15-8-16-6-10-3-2-4-13-12(10)15/h2-4,7H,5-6,8H2,1H3
InChIKeySIOMRYSVZZZJDA-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.34
Rot. Bonds2

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine (PubChem CID 141092080) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine
PubChem CID141092080
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine
SMILESCc1nc(CN2COCc3cccnc32)cs1
InChIInChI=1S/C12H13N3OS/c1-9-14-11(7-17-9)5-15-8-16-6-10-3-2-4-13-12(10)15/h2-4,7H,5-6,8H2,1H3
InChIKeySIOMRYSVZZZJDA-UHFFFAOYSA-N
XLogP2.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine
CID 141108565
2-methyl-4-[[4-[(3S)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]methyl]-1,3-thiazole
CID 98777803
2-methyl-4-[[4-[[(3S)-oxolan-3-yl]methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]methyl]-1,3-thiazole
CID 124521611
2-ethoxy-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 97469046
(3-hydroxycyclobutyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
CID 131683444
4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 166600976
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
2-methyl-4-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)-1,3-thiazole
CID 63100735
2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 141198028
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
(6R)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125014235
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134810645

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine (CID 141092080) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine is Cc1nc(CN2COCc3cccnc32)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine?
The InChIKey is SIOMRYSVZZZJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-14-11(7-17-9)5-15-8-16-6-10-3-2-4-13-12(10)15/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine has a molecular weight of 247.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine is sourced from PubChem (CID 141092080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).