1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine

C17H24N2OS — CID 61487391

IUPAC1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(OCc2csc(C(C)C)n2)c(C)c1
InChIInChI=1S/C17H24N2OS/c1-11(2)17-19-15(10-21-17)9-20-16-12(3)6-14(8-18-5)7-13(16)4/h6-7,10-11,18H,8-9H2,1-5H3
InChIKeyKORVTIKDKXHQBT-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.18
Rot. Bonds6

About 1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine

1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 61487391) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID61487391
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(OCc2csc(C(C)C)n2)c(C)c1
InChIInChI=1S/C17H24N2OS/c1-11(2)17-19-15(10-21-17)9-20-16-12(3)6-14(8-18-5)7-13(16)4/h6-7,10-11,18H,8-9H2,1-5H3
InChIKeyKORVTIKDKXHQBT-UHFFFAOYSA-N
XLogP4.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 61487391) is 1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(C)c(OCc2csc(C(C)C)n2)c(C)c1.
What is the InChIKey of 1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is KORVTIKDKXHQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11(2)17-19-15(10-21-17)9-20-16-12(3)6-14(8-18-5)7-13(16)4/h6-7,10-11,18H,8-9H2,1-5H3.
What are the key properties of 1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 61487391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).