2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide

C12H23N3OS — CID 113407964

IUPAC2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NC1=NCC(C)CS1
InChIInChI=1S/C12H23N3OS/c1-8(2)5-13-11(16)10(4)15-12-14-6-9(3)7-17-12/h8-10H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyHCVVLSHITBNSEU-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.48
Rot. Bonds4

About 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide

2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 113407964) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID113407964
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NC1=NCC(C)CS1
InChIInChI=1S/C12H23N3OS/c1-8(2)5-13-11(16)10(4)15-12-14-6-9(3)7-17-12/h8-10H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyHCVVLSHITBNSEU-UHFFFAOYSA-N
XLogP1.48
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
CID 113407961
N-(2-methoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102699426
2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 61477994
5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035697
N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
CID 61467678
2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide
CID 107154089
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide
CID 103365050
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 103383950
2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 63261225
N-(2-methylpropyl)-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569242
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide
CID 60677318

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide (CID 113407964) is 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NC1=NCC(C)CS1.
What is the InChIKey of 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is HCVVLSHITBNSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-8(2)5-13-11(16)10(4)15-12-14-6-9(3)7-17-12/h8-10H,5-7H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide?
2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 257.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113407964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).