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

C11H21N3OS — CID 106097590

IUPAC3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide
SMILESCC1(C)CN=C(NC(C)(C)CC(N)=O)SC1
InChIInChI=1S/C11H21N3OS/c1-10(2)6-13-9(16-7-10)14-11(3,4)5-8(12)15/h5-7H2,1-4H3,(H2,12,15)(H,13,14)
InChIKeyZPGGAFQCGDXJMN-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.36
Rot. Bonds3

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

3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide (PubChem CID 106097590) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide
PubChem CID106097590
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide
SMILESCC1(C)CN=C(NC(C)(C)CC(N)=O)SC1
InChIInChI=1S/C11H21N3OS/c1-10(2)6-13-9(16-7-10)14-11(3,4)5-8(12)15/h5-7H2,1-4H3,(H2,12,15)(H,13,14)
InChIKeyZPGGAFQCGDXJMN-UHFFFAOYSA-N
XLogP1.36
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
CID 2971355
5-tert-butyl-2-methylsulfanyl-4,5-dihydro-1H-pyrimidin-6-one
CID 126739494
2-(3-Methylbutylimino)-1,3-thiazinan-4-one
CID 145121137
N-tert-butyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
CID 104427182
N-tert-butyl-3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide
CID 104427190
3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanamide
CID 106097569
3-(4,5-Dihydro-1,3-thiazol-2-ylamino)-3-methylbutanamide
CID 106097570
3-[(5-Ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide
CID 106097571
3-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide
CID 106097572
3-[[5-(2,2-Dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide
CID 106097573
3-[(4-Ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanamide
CID 106097574
3-[(4,4-diethyl-5H-1,3-thiazol-2-yl)amino]-3-methylbutanamide
CID 106097575

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide (CID 106097590) is 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide is CC1(C)CN=C(NC(C)(C)CC(N)=O)SC1.
What is the InChIKey of 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide?
The InChIKey is ZPGGAFQCGDXJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-10(2)6-13-9(16-7-10)14-11(3,4)5-8(12)15/h5-7H2,1-4H3,(H2,12,15)(H,13,14).
What are the key properties of 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide?
3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide has a molecular weight of 243.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106097590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).