4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine

C16H22N2OS — CID 62064846

IUPAC4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Cc2sc(N)nc2C(C)(C)C)cc1C
InChIInChI=1S/C16H22N2OS/c1-10-8-11(6-7-12(10)19-5)9-13-14(16(2,3)4)18-15(17)20-13/h6-8H,9H2,1-5H3,(H2,17,18)
InChIKeySWOLDTBSFFQUCE-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.93
Rot. Bonds3

About 4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine

4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 62064846) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID62064846
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Cc2sc(N)nc2C(C)(C)C)cc1C
InChIInChI=1S/C16H22N2OS/c1-10-8-11(6-7-12(10)19-5)9-13-14(16(2,3)4)18-15(17)20-13/h6-8H,9H2,1-5H3,(H2,17,18)
InChIKeySWOLDTBSFFQUCE-UHFFFAOYSA-N
XLogP3.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 62064846) is 4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine is COc1ccc(Cc2sc(N)nc2C(C)(C)C)cc1C.
What is the InChIKey of 4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is SWOLDTBSFFQUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-8-11(6-7-12(10)19-5)9-13-14(16(2,3)4)18-15(17)20-13/h6-8H,9H2,1-5H3,(H2,17,18).
What are the key properties of 4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine?
4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62064846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).