4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde

C14H16N2OS2 — CID 63915620

IUPAC4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCC(c1cccs1)N(C)c1nc(C2CC2)c(C=O)s1
InChIInChI=1S/C14H16N2OS2/c1-9(11-4-3-7-18-11)16(2)14-15-13(10-5-6-10)12(8-17)19-14/h3-4,7-10H,5-6H2,1-2H3
InChIKeyGXDIEVYRNYDMQA-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.09
Rot. Bonds5

About 4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde

4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 63915620) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID63915620
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCC(c1cccs1)N(C)c1nc(C2CC2)c(C=O)s1
InChIInChI=1S/C14H16N2OS2/c1-9(11-4-3-7-18-11)16(2)14-15-13(10-5-6-10)12(8-17)19-14/h3-4,7-10H,5-6H2,1-2H3
InChIKeyGXDIEVYRNYDMQA-UHFFFAOYSA-N
XLogP4.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.09
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-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 79858130
4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde
CID 79482453
N-methyl-N-(1-thiophen-2-ylethyl)formamide
CID 64990731
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80965115
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80961798
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylate
CID 113306874
N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 64542538
2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62983529
N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 103069890
1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79972660
4-amino-2-(cyclopropylamino)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 116664151
1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine
CID 79469682

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 63915620) is 4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde is CC(c1cccs1)N(C)c1nc(C2CC2)c(C=O)s1.
What is the InChIKey of 4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is GXDIEVYRNYDMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-9(11-4-3-7-18-11)16(2)14-15-13(10-5-6-10)12(8-17)19-14/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde?
4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 292.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[methyl(1-thiophen-2-ylethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63915620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).