(2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide

C7H11N3OS — CID 54191141

IUPAC(2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide
SMILESCN[C@@H](Cc1cscn1)C(N)=O
InChIInChI=1S/C7H11N3OS/c1-9-6(7(8)11)2-5-3-12-4-10-5/h3-4,6,9H,2H2,1H3,(H2,8,11)/t6-/m0/s1
InChIKeyPIPJBPABYPMWOQ-LURJTMIESA-N
MW185.25 g/mol
LogP-0.24
Rot. Bonds4

About (2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide

(2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 54191141) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide
PubChem CID54191141
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name(2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide
SMILESCN[C@@H](Cc1cscn1)C(N)=O
InChIInChI=1S/C7H11N3OS/c1-9-6(7(8)11)2-5-3-12-4-10-5/h3-4,6,9H,2H2,1H3,(H2,8,11)/t6-/m0/s1
InChIKeyPIPJBPABYPMWOQ-LURJTMIESA-N
XLogP-0.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of (2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide (CID 54191141) is (2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide is CN[C@@H](Cc1cscn1)C(N)=O.
What is the InChIKey of (2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is PIPJBPABYPMWOQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H11N3OS/c1-9-6(7(8)11)2-5-3-12-4-10-5/h3-4,6,9H,2H2,1H3,(H2,8,11)/t6-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide?
(2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 185.25 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 54191141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).