4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde

C11H16N2OS — CID 63864928

IUPAC4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N(C)CC2CC2C)sc1C=O
InChIInChI=1S/C11H16N2OS/c1-7-4-9(7)5-13(3)11-12-8(2)10(6-14)15-11/h6-7,9H,4-5H2,1-3H3
InChIKeyZDLWRQYRWCMDHY-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.36
Rot. Bonds4

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

4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 63864928) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
PubChem CID63864928
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N(C)CC2CC2C)sc1C=O
InChIInChI=1S/C11H16N2OS/c1-7-4-9(7)5-13(3)11-12-8(2)10(6-14)15-11/h6-7,9H,4-5H2,1-3H3
InChIKeyZDLWRQYRWCMDHY-UHFFFAOYSA-N
XLogP2.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2-piperidin-1-yl-thiazole-5-carbaldehyde
CID 2402636
2-(Dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 12846796
2-(3,3-Difluoropyrrolidin-1-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 131142668
4-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765231
4-Methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62766258
2-[Ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62766259
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62766260
4-Methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62766435
4-Methyl-2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazole-5-carbaldehyde
CID 65532316
4-Methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 65532322
4-Methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 65532327
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79392963

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde (CID 63864928) is 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde is Cc1nc(N(C)CC2CC2C)sc1C=O.
What is the InChIKey of 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is ZDLWRQYRWCMDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7-4-9(7)5-13(3)11-12-8(2)10(6-14)15-11/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 224.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63864928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).