(3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C18H18N4O3S2 — CID 97105457

IUPAC(3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)sc2c1
InChIInChI=1S/C18H18N4O3S2/c1-3-25-12-4-5-13-14(6-12)27-17(20-13)21-15(23)11-8-22-16(24)10(2)7-19-18(22)26-9-11/h4-7,11H,3,8-9H2,1-2H3,(H,20,21,23)/t11-/m0/s1
InChIKeyJZDPKTNHLDAJPJ-NSHDSACASA-N
MW402.50 g/mol
LogP2.92
Rot. Bonds4

About (3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

(3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 97105457) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID97105457
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name(3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)sc2c1
InChIInChI=1S/C18H18N4O3S2/c1-3-25-12-4-5-13-14(6-12)27-17(20-13)21-15(23)11-8-22-16(24)10(2)7-19-18(22)26-9-11/h4-7,11H,3,8-9H2,1-2H3,(H,20,21,23)/t11-/m0/s1
InChIKeyJZDPKTNHLDAJPJ-NSHDSACASA-N
XLogP2.92
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide with MolForge

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46596910
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
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trans-(1S,2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 8883363
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128797
1-(2,6-diethylphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108769810
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120469
1-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6494505
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611795
N-(2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572476
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014465
1-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108810021
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of (3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 97105457) is (3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for (3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for (3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCOc1ccc2nc(NC(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)sc2c1.
What is the InChIKey of (3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is JZDPKTNHLDAJPJ-NSHDSACASA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-3-25-12-4-5-13-14(6-12)27-17(20-13)21-15(23)11-8-22-16(24)10(2)7-19-18(22)26-9-11/h4-7,11H,3,8-9H2,1-2H3,(H,20,21,23)/t11-/m0/s1.
What are the key properties of (3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
(3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 97105457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).