N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide

C34H32N4O2S — CID 4659741

IUPACN-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccc(NC(=O)c3cccc4ccccc34)cc2)N2CCCSC2=N1
InChIInChI=1S/C34H32N4O2S/c1-21-12-17-29(22(2)20-21)37-33(40)30-23(3)35-34-38(18-7-19-41-34)31(30)25-13-15-26(16-14-25)36-32(39)28-11-6-9-24-8-4-5-10-27(24)28/h4-6,8-17,20,31H,7,18-19H2,1-3H3,(H,36,39)(H,37,40)
InChIKeyUIRFTBNZCJSAAK-UHFFFAOYSA-N
MW560.72 g/mol
LogP7.47
Rot. Bonds5

About N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide

N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide (PubChem CID 4659741) has the molecular formula C34H32N4O2S and a molecular weight of 560.72 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
PubChem CID4659741
Molecular FormulaC34H32N4O2S
Molecular Weight560.72 g/mol
Exact Mass560.22
IUPAC NameN-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccc(NC(=O)c3cccc4ccccc34)cc2)N2CCCSC2=N1
InChIInChI=1S/C34H32N4O2S/c1-21-12-17-29(22(2)20-21)37-33(40)30-23(3)35-34-38(18-7-19-41-34)31(30)25-13-15-26(16-14-25)36-32(39)28-11-6-9-24-8-4-5-10-27(24)28/h4-6,8-17,20,31H,7,18-19H2,1-3H3,(H,36,39)(H,37,40)
InChIKeyUIRFTBNZCJSAAK-UHFFFAOYSA-N
XLogP7.47
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.72
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(2,4-dimethylphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 42771824
N-(2-methoxyphenyl)-8-methyl-6-[3-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 4565131
8-methyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 4688743
6-[3-[(2-methoxybenzoyl)amino]phenyl]-N-(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 4625144
6-[4-[(2-methoxyacetyl)amino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 5127487
8-methyl-6-[3-[(3-methylphenyl)carbamoylamino]phenyl]-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 5205543
(6S)-6-[4-[(4-bromobenzoyl)amino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 98166157
6-[4-(hexanoylamino)phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 3559928
N-(2-methoxyphenyl)-8-methyl-6-[3-[(4-methylphenyl)carbamoylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 4232180
ethyl 2-[[4-[(6R)-8-methyl-7-(phenylcarbamoyl)-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazin-6-yl]phenyl]carbamoylamino]acetate
CID 93107906
(6R)-6-[4-[[(2R)-2-ethylhexanoyl]amino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 93107893
6-[3-(furan-2-carbonylamino)phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 4196547

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide (CID 4659741) is N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccc(NC(=O)c3cccc4ccccc34)cc2)N2CCCSC2=N1.
What is the InChIKey of N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide?
The InChIKey is UIRFTBNZCJSAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O2S/c1-21-12-17-29(22(2)20-21)37-33(40)30-23(3)35-34-38(18-7-19-41-34)31(30)25-13-15-26(16-14-25)36-32(39)28-11-6-9-24-8-4-5-10-27(24)28/h4-6,8-17,20,31H,7,18-19H2,1-3H3,(H,36,39)(H,37,40).
What are the key properties of N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide?
N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide has a molecular weight of 560.72 g/mol, XLogP of 7.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-8-methyl-6-[4-(naphthalene-1-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide is sourced from PubChem (CID 4659741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).