2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde

C11H10N2OS — CID 84683840

IUPAC2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde
SMILESCc1ccccc1-c1sc(N)nc1C=O
InChIInChI=1S/C11H10N2OS/c1-7-4-2-3-5-8(7)10-9(6-14)13-11(12)15-10/h2-6H,1H3,(H2,12,13)
InChIKeyMFKSHVYFCAFCKI-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.51
Rot. Bonds2

About 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde

2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 84683840) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID84683840
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde
SMILESCc1ccccc1-c1sc(N)nc1C=O
InChIInChI=1S/C11H10N2OS/c1-7-4-2-3-5-8(7)10-9(6-14)13-11(12)15-10/h2-6H,1H3,(H2,12,13)
InChIKeyMFKSHVYFCAFCKI-UHFFFAOYSA-N
XLogP2.51
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(2-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 84700892
methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271136
2-amino-5-methyl-1,3-thiazole-4-carbaldehyde
CID 45083446
5-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-amine
CID 82106591
2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 84700893
2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 84715257
2-(2-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde
CID 89093508
2-bromo-4-methyl-5-(2-methylphenyl)-1,3-thiazole
CID 82134123
2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde
CID 15359783
2-amino-5-chloro-1,3-thiazole-4-carbaldehyde
CID 2763228
4-(2-methylphenyl)-5-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 82106448
3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde
CID 150115001

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde (CID 84683840) is 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde is Cc1ccccc1-c1sc(N)nc1C=O.
What is the InChIKey of 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is MFKSHVYFCAFCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-7-4-2-3-5-8(7)10-9(6-14)13-11(12)15-10/h2-6H,1H3,(H2,12,13).
What are the key properties of 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde?
2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 218.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 84683840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).