2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide

C8H15N3OS — CID 61467634

IUPAC2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide
SMILESCNC(=O)C(C)NC1=NCCCS1
InChIInChI=1S/C8H15N3OS/c1-6(7(12)9-2)11-8-10-4-3-5-13-8/h6H,3-5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyCTXMIBQSKZNQFS-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.20
Rot. Bonds2

About 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide

2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide (PubChem CID 61467634) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide
PubChem CID61467634
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide
SMILESCNC(=O)C(C)NC1=NCCCS1
InChIInChI=1S/C8H15N3OS/c1-6(7(12)9-2)11-8-10-4-3-5-13-8/h6H,3-5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyCTXMIBQSKZNQFS-UHFFFAOYSA-N
XLogP0.20
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43440150
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CID 43545734
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CID 43545737
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CID 43545740
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CID 43545741
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CID 43545742
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CID 43552951
CID 43552951

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide?
The IUPAC name of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide (CID 61467634) is 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide.
What is the SMILES notation for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide?
The canonical SMILES for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide is CNC(=O)C(C)NC1=NCCCS1.
What is the InChIKey of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide?
The InChIKey is CTXMIBQSKZNQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6(7(12)9-2)11-8-10-4-3-5-13-8/h6H,3-5H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide?
2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide has a molecular weight of 201.29 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-N-methylpropanamide is sourced from PubChem (CID 61467634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).