4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline

C15H21N3S — CID 61330087

IUPAC4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline
SMILESCC(C)c1csc(C(N)c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C15H21N3S/c1-10(2)13-9-19-15(17-13)14(16)11-5-7-12(8-6-11)18(3)4/h5-10,14H,16H2,1-4H3
InChIKeyQPJXZQCFHPAVFA-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.38
Rot. Bonds4

About 4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline

4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline (PubChem CID 61330087) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline
PubChem CID61330087
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline
SMILESCC(C)c1csc(C(N)c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C15H21N3S/c1-10(2)13-9-19-15(17-13)14(16)11-5-7-12(8-6-11)18(3)4/h5-10,14H,16H2,1-4H3
InChIKeyQPJXZQCFHPAVFA-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline (CID 61330087) is 4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline is CC(C)c1csc(C(N)c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline?
The InChIKey is QPJXZQCFHPAVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-10(2)13-9-19-15(17-13)14(16)11-5-7-12(8-6-11)18(3)4/h5-10,14H,16H2,1-4H3.
What are the key properties of 4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline?
4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline has a molecular weight of 275.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 61330087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).