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

C11H18N2OS — CID 62751473

IUPAC2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCC(N(C)c1ncc(C=O)s1)C(C)(C)C
InChIInChI=1S/C11H18N2OS/c1-8(11(2,3)4)13(5)10-12-6-9(7-14)15-10/h6-8H,1-5H3
InChIKeyHBKGQVHZBDYFDI-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.83
Rot. Bonds3

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

2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62751473) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62751473
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCC(N(C)c1ncc(C=O)s1)C(C)(C)C
InChIInChI=1S/C11H18N2OS/c1-8(11(2,3)4)13(5)10-12-6-9(7-14)15-10/h6-8H,1-5H3
InChIKeyHBKGQVHZBDYFDI-UHFFFAOYSA-N
XLogP2.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.83
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

2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62756528
2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750118
2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750121
2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62757636
2-[methyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62756167
2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750462
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 62750633
2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750478
2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231059
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750292
2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde
CID 116727320
2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62751474

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde (CID 62751473) is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde is CC(N(C)c1ncc(C=O)s1)C(C)(C)C.
What is the InChIKey of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is HBKGQVHZBDYFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(11(2,3)4)13(5)10-12-6-9(7-14)15-10/h6-8H,1-5H3.
What are the key properties of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde?
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 226.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62751473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).