methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal

C8H12N2OS — CID 145452178

IUPACmethanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal
SMILESCN.Cc1ncc(/C=C/C=O)s1
InChIInChI=1S/C7H7NOS.CH5N/c1-6-8-5-7(10-6)3-2-4-9;1-2/h2-5H,1H3;2H2,1H3/b3-2+;
InChIKeyPKLQWNLGYCLABI-SQQVDAMQSA-N
MW184.26 g/mol
LogP1.24
Rot. Bonds2

About methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal

methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal (PubChem CID 145452178) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal.

Molecular Properties

Compound Namemethanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal
PubChem CID145452178
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Namemethanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal
SMILESCN.Cc1ncc(/C=C/C=O)s1
InChIInChI=1S/C7H7NOS.CH5N/c1-6-8-5-7(10-6)3-2-4-9;1-2/h2-5H,1H3;2H2,1H3/b3-2+;
InChIKeyPKLQWNLGYCLABI-SQQVDAMQSA-N
XLogP1.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-Thiazol-5-yl)penta-2,4-dienal
CID 90742980
(E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 131242995
4-(2-Methyl-1,3-thiazol-5-yl)but-3-en-2-one
CID 13934729
ethyl (2E,4E)-5-(2-methyl-1,3-thiazol-5-yl)penta-2,4-dienoate
CID 21405585
1-(2-Methyl-5-thiazolyl)but-1-en-3-one
CID 54191430
Ethyl 5-(2-methyl-5-thiazolyl)-2,4-pentadienoate
CID 54252691
(E)-ethyl 3-(2-methylthiazol-5-yl)acrylate
CID 68295359
N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 68849301
4-(2-Methoxy-1,3-thiazol-5-yl)but-3-en-2-one
CID 69229243
CID 69229246
CID 69229246
(5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one
CID 70837535
3-(1,3-Thiazol-5-yl)prop-2-enamide
CID 76221186

Frequently Asked Questions

What is the IUPAC name of methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal?
The IUPAC name of methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal (CID 145452178) is methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal.
What is the SMILES notation for methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal?
The canonical SMILES for methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal is CN.Cc1ncc(/C=C/C=O)s1.
What is the InChIKey of methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal?
The InChIKey is PKLQWNLGYCLABI-SQQVDAMQSA-N. The full InChI is InChI=1S/C7H7NOS.CH5N/c1-6-8-5-7(10-6)3-2-4-9;1-2/h2-5H,1H3;2H2,1H3/b3-2+;.
What are the key properties of methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal?
methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal has a molecular weight of 184.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal is sourced from PubChem (CID 145452178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).