2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde

C14H17N3OS — CID 62765756

IUPAC2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N(C)Cc2ccccn2)sc1C=O
InChIInChI=1S/C14H17N3OS/c1-3-6-12-13(10-18)19-14(16-12)17(2)9-11-7-4-5-8-15-11/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyVIWKFINICYJYOM-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.94
Rot. Bonds6

About 2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde

2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62765756) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID62765756
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N(C)Cc2ccccn2)sc1C=O
InChIInChI=1S/C14H17N3OS/c1-3-6-12-13(10-18)19-14(16-12)17(2)9-11-7-4-5-8-15-11/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyVIWKFINICYJYOM-UHFFFAOYSA-N
XLogP2.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.94
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

4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765593
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687787
2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63514434
4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 107509256
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112267
2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63513910
1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 55112508
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765919
3-[2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486329
6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 171329025
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116670237
2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977482

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde (CID 62765756) is 2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(N(C)Cc2ccccn2)sc1C=O.
What is the InChIKey of 2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is VIWKFINICYJYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-6-12-13(10-18)19-14(16-12)17(2)9-11-7-4-5-8-15-11/h4-5,7-8,10H,3,6,9H2,1-2H3.
What are the key properties of 2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 275.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).