7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C18H22N4O2S2 — CID 71802348

IUPAC7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)Nc1nc3c(s1)CCCC3)CS2
InChIInChI=1S/C18H22N4O2S2/c1-3-12-10(2)19-18-22(16(12)24)8-11(9-25-18)15(23)21-17-20-13-6-4-5-7-14(13)26-17/h11H,3-9H2,1-2H3,(H,20,21,23)
InChIKeyXMNSSNGGBVVOLO-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.81
Rot. Bonds3

About 7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 71802348) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID71802348
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)Nc1nc3c(s1)CCCC3)CS2
InChIInChI=1S/C18H22N4O2S2/c1-3-12-10(2)19-18-22(16(12)24)8-11(9-25-18)15(23)21-17-20-13-6-4-5-7-14(13)26-17/h11H,3-9H2,1-2H3,(H,20,21,23)
InChIKeyXMNSSNGGBVVOLO-UHFFFAOYSA-N
XLogP2.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 71802348) is 7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)CC(C(=O)Nc1nc3c(s1)CCCC3)CS2.
What is the InChIKey of 7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is XMNSSNGGBVVOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-3-12-10(2)19-18-22(16(12)24)8-11(9-25-18)15(23)21-17-20-13-6-4-5-7-14(13)26-17/h11H,3-9H2,1-2H3,(H,20,21,23).
What are the key properties of 7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 71802348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).