(3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C18H19N3O2S — CID 97041295

IUPAC(3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1cnc2n(c1=O)C[C@@H](C(=O)N1c3ccccc3C[C@H]1C)CS2
InChIInChI=1S/C18H19N3O2S/c1-11-8-19-18-20(16(11)22)9-14(10-24-18)17(23)21-12(2)7-13-5-3-4-6-15(13)21/h3-6,8,12,14H,7,9-10H2,1-2H3/t12-,14-/m1/s1
InChIKeyLDACMVOCEGEXKQ-TZMCWYRMSA-N
MW341.44 g/mol
LogP2.25
Rot. Bonds1

About (3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

(3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 97041295) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name(3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID97041295
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1cnc2n(c1=O)C[C@@H](C(=O)N1c3ccccc3C[C@H]1C)CS2
InChIInChI=1S/C18H19N3O2S/c1-11-8-19-18-20(16(11)22)9-14(10-24-18)17(23)21-12(2)7-13-5-3-4-6-15(13)21/h3-6,8,12,14H,7,9-10H2,1-2H3/t12-,14-/m1/s1
InChIKeyLDACMVOCEGEXKQ-TZMCWYRMSA-N
XLogP2.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one with MolForge

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Related Compounds

N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572346
6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6937793
N-(3-chloro-2-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572524
(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37028876
1-(2,5-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17151966
1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113186494
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
1-(3,5-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120998
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
5-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 112728720
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-3H-pyridazin-6-one
CID 73452321

Frequently Asked Questions

What is the IUPAC name of (3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of (3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 97041295) is (3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for (3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for (3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is Cc1cnc2n(c1=O)C[C@@H](C(=O)N1c3ccccc3C[C@H]1C)CS2.
What is the InChIKey of (3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is LDACMVOCEGEXKQ-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-8-19-18-20(16(11)22)9-14(10-24-18)17(23)21-12(2)7-13-5-3-4-6-15(13)21/h3-6,8,12,14H,7,9-10H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
(3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 341.44 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 97041295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).