4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide

C15H21N3OS — CID 106249819

IUPAC4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide
SMILESCCC1(CC)CN=C(Nc2ccc(C(N)=O)cc2)SC1
InChIInChI=1S/C15H21N3OS/c1-3-15(4-2)9-17-14(20-10-15)18-12-7-5-11(6-8-12)13(16)19/h5-8H,3-4,9-10H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyHMIJPWUPJHYASG-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.11
Rot. Bonds4

About 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide

4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide (PubChem CID 106249819) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide
PubChem CID106249819
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide
SMILESCCC1(CC)CN=C(Nc2ccc(C(N)=O)cc2)SC1
InChIInChI=1S/C15H21N3OS/c1-3-15(4-2)9-17-14(20-10-15)18-12-7-5-11(6-8-12)13(16)19/h5-8H,3-4,9-10H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyHMIJPWUPJHYASG-UHFFFAOYSA-N
XLogP3.11
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide
CID 64551710
N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250484
5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249763
5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249760
4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide
CID 79245948
4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide
CID 63183072
4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 115361109
5,5-diethyl-N-[(5-ethylthiophen-2-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106252065
5,5-diethyl-N-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250447
3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 106251449
N-cyclohexyl-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249625
3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzamide
CID 114003567

Frequently Asked Questions

What is the IUPAC name of 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide?
The IUPAC name of 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide (CID 106249819) is 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide.
What is the SMILES notation for 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide?
The canonical SMILES for 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide is CCC1(CC)CN=C(Nc2ccc(C(N)=O)cc2)SC1.
What is the InChIKey of 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide?
The InChIKey is HMIJPWUPJHYASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-15(4-2)9-17-14(20-10-15)18-12-7-5-11(6-8-12)13(16)19/h5-8H,3-4,9-10H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide?
4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide has a molecular weight of 291.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide is sourced from PubChem (CID 106249819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).