(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal

C7H10N2OS — CID 5288557

IUPAC(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal
SMILESC[C@H](C=O)Cc1csc(N)n1
InChIInChI=1S/C7H10N2OS/c1-5(3-10)2-6-4-11-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)/t5-/m0/s1
InChIKeyKFMAJVLZSDMFBV-YFKPBYRVSA-N
MW170.24 g/mol
LogP1.10
Rot. Bonds3

About (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal

(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal (PubChem CID 5288557) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal.

Molecular Properties

Compound Name(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal
PubChem CID5288557
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal
SMILESC[C@H](C=O)Cc1csc(N)n1
InChIInChI=1S/C7H10N2OS/c1-5(3-10)2-6-4-11-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)/t5-/m0/s1
InChIKeyKFMAJVLZSDMFBV-YFKPBYRVSA-N
XLogP1.10
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal?
The IUPAC name of (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal (CID 5288557) is (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal.
What is the SMILES notation for (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal?
The canonical SMILES for (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal is C[C@H](C=O)Cc1csc(N)n1.
What is the InChIKey of (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal?
The InChIKey is KFMAJVLZSDMFBV-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5(3-10)2-6-4-11-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)/t5-/m0/s1.
What are the key properties of (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal?
(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal has a molecular weight of 170.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal is sourced from PubChem (CID 5288557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).