2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde

C11H17N3OS — CID 62750462

IUPAC2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN1CCCC(N(C)c2ncc(C=O)s2)C1
InChIInChI=1S/C11H17N3OS/c1-13-5-3-4-9(7-13)14(2)11-12-6-10(8-15)16-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyNDRLLQOIMJNIGH-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.49
Rot. Bonds3

About 2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde

2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62750462) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62750462
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN1CCCC(N(C)c2ncc(C=O)s2)C1
InChIInChI=1S/C11H17N3OS/c1-13-5-3-4-9(7-13)14(2)11-12-6-10(8-15)16-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyNDRLLQOIMJNIGH-UHFFFAOYSA-N
XLogP1.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62757636
5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
CID 64623703
2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde
CID 55084333
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62547867
2-N-cyclohexyl-2-N-methyl-1,3-thiazole-2,5-diamine
CID 102767119
[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80692409
4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80832213
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79764714
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 63917164
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
CID 114216274
[2-[methyl-(1-methylpiperidin-3-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62779327
5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 55084380

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde (CID 62750462) is 2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde is CN1CCCC(N(C)c2ncc(C=O)s2)C1.
What is the InChIKey of 2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is NDRLLQOIMJNIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-13-5-3-4-9(7-13)14(2)11-12-6-10(8-15)16-11/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde?
2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 239.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62750462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).