2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde

C12H20N2O2S — CID 62764206

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCCC(C)N(CCOC)c1nc(C)c(C=O)s1
InChIInChI=1S/C12H20N2O2S/c1-5-9(2)14(6-7-16-4)12-13-10(3)11(8-15)17-12/h8-9H,5-7H2,1-4H3
InChIKeyWSKSGFKPNXYLSJ-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.52
Rot. Bonds7

About 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde

2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62764206) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID62764206
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCCC(C)N(CCOC)c1nc(C)c(C=O)s1
InChIInChI=1S/C12H20N2O2S/c1-5-9(2)14(6-7-16-4)12-13-10(3)11(8-15)17-12/h8-9H,5-7H2,1-4H3
InChIKeyWSKSGFKPNXYLSJ-UHFFFAOYSA-N
XLogP2.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.52
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-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
CID 62765094
2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79393400
2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509060
2-[butan-2-yl(butyl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79393324
4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63918151
5-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 62768247
2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764542
methyl 2-[butan-2-yl(2-methoxyethyl)amino]-4-chloro-1,3-thiazole-5-carboxylate
CID 55000172
2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
CID 62765945
2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62750640
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977172
N-(2-methoxyethyl)-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 82965903

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde (CID 62764206) is 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde is CCC(C)N(CCOC)c1nc(C)c(C=O)s1.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is WSKSGFKPNXYLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-9(2)14(6-7-16-4)12-13-10(3)11(8-15)17-12/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 256.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62764206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).