N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine

C16H22N2OS — CID 79774785

IUPACN-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2c(C)cc(C)cc2C)s1
InChIInChI=1S/C16H22N2OS/c1-5-6-17-16-18-9-14(20-16)10-19-15-12(3)7-11(2)8-13(15)4/h7-9H,5-6,10H2,1-4H3,(H,17,18)
InChIKeyVXKXSCPLZRJACM-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.47
Rot. Bonds6

About N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine

N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 79774785) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID79774785
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2c(C)cc(C)cc2C)s1
InChIInChI=1S/C16H22N2OS/c1-5-6-17-16-18-9-14(20-16)10-19-15-12(3)7-11(2)8-13(15)4/h7-9H,5-6,10H2,1-4H3,(H,17,18)
InChIKeyVXKXSCPLZRJACM-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine (CID 79774785) is N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine is CCCNc1ncc(COc2c(C)cc(C)cc2C)s1.
What is the InChIKey of N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is VXKXSCPLZRJACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-6-17-16-18-9-14(20-16)10-19-15-12(3)7-11(2)8-13(15)4/h7-9H,5-6,10H2,1-4H3,(H,17,18).
What are the key properties of N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine?
N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 290.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).