[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone

C19H18N4O2S — CID 96568872

IUPAC[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1ccc2c(c1)N(C(=O)c1sc(-c3ncccn3)nc1C)C[C@H](C)O2
InChIInChI=1S/C19H18N4O2S/c1-11-5-6-15-14(9-11)23(10-12(2)25-15)19(24)16-13(3)22-18(26-16)17-20-7-4-8-21-17/h4-9,12H,10H2,1-3H3/t12-/m0/s1
InChIKeyJXBFNNLVVPXSJS-LBPRGKRZSA-N
MW366.45 g/mol
LogP3.64
Rot. Bonds2

About [(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone

[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 96568872) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is [(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID96568872
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1ccc2c(c1)N(C(=O)c1sc(-c3ncccn3)nc1C)C[C@H](C)O2
InChIInChI=1S/C19H18N4O2S/c1-11-5-6-15-14(9-11)23(10-12(2)25-15)19(24)16-13(3)22-18(26-16)17-20-7-4-8-21-17/h4-9,12H,10H2,1-3H3/t12-/m0/s1
InChIKeyJXBFNNLVVPXSJS-LBPRGKRZSA-N
XLogP3.64
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 99817841
(3S,4S)-4-methyl-1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952421
(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 71863520
1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 53016784
1-[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 95051883
1-[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-3-methoxypropan-1-one
CID 95051833
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 55813581
(5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
CID 75469676
2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 119247628
(2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 119473571
1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 119033097
N-(1,3-benzodioxol-5-yl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 71940524

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (CID 96568872) is [(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is Cc1ccc2c(c1)N(C(=O)c1sc(-c3ncccn3)nc1C)C[C@H](C)O2.
What is the InChIKey of [(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is JXBFNNLVVPXSJS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-11-5-6-15-14(9-11)23(10-12(2)25-15)19(24)16-13(3)22-18(26-16)17-20-7-4-8-21-17/h4-9,12H,10H2,1-3H3/t12-/m0/s1.
What are the key properties of [(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 366.45 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 96568872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).