(3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C19H21N5O2S — CID 97105551

IUPAC(3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCc1nc3ccccc3[nH]1)CS2
InChIInChI=1S/C19H21N5O2S/c1-3-13-11(2)21-19-24(18(13)26)9-12(10-27-19)17(25)20-8-16-22-14-6-4-5-7-15(14)23-16/h4-7,12H,3,8-10H2,1-2H3,(H,20,25)(H,22,23)/t12-/m1/s1
InChIKeyRZTKVYPBMGFIEZ-GFCCVEGCSA-N
MW383.48 g/mol
LogP2.03
Rot. Bonds4

About (3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

(3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 97105551) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is (3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID97105551
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name(3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCc1nc3ccccc3[nH]1)CS2
InChIInChI=1S/C19H21N5O2S/c1-3-13-11(2)21-19-24(18(13)26)9-12(10-27-19)17(25)20-8-16-22-14-6-4-5-7-15(14)23-16/h4-7,12H,3,8-10H2,1-2H3,(H,20,25)(H,22,23)/t12-/m1/s1
InChIKeyRZTKVYPBMGFIEZ-GFCCVEGCSA-N
XLogP2.03
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(1H-benzimidazol-2-ylmethyl)-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97105497
7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573134
N-(2,2-dimethoxyethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573079
N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 78769860
N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 78910043
7-ethyl-N-methoxy-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802399
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CID 51205056
7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 71802385
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 78790796
N-(1H-benzimidazol-2-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90609923
N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20887497
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of (3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 97105551) is (3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for (3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCc1nc3ccccc3[nH]1)CS2.
What is the InChIKey of (3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is RZTKVYPBMGFIEZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-3-13-11(2)21-19-24(18(13)26)9-12(10-27-19)17(25)20-8-16-22-14-6-4-5-7-15(14)23-16/h4-7,12H,3,8-10H2,1-2H3,(H,20,25)(H,22,23)/t12-/m1/s1.
What are the key properties of (3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
(3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 97105551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).