5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine

C16H20N2OS — CID 4027576

IUPAC5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(NCC3CCCO3)sc2C)cc1
InChIInChI=1S/C16H20N2OS/c1-11-5-7-13(8-6-11)15-12(2)20-16(18-15)17-10-14-4-3-9-19-14/h5-8,14H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyBPTFRMFTHDKTLU-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.02
Rot. Bonds4

About 5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine

5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 4027576) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID4027576
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(NCC3CCCO3)sc2C)cc1
InChIInChI=1S/C16H20N2OS/c1-11-5-7-13(8-6-11)15-12(2)20-16(18-15)17-10-14-4-3-9-19-14/h5-8,14H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyBPTFRMFTHDKTLU-UHFFFAOYSA-N
XLogP4.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine (CID 4027576) is 5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine is Cc1ccc(-c2nc(NCC3CCCO3)sc2C)cc1.
What is the InChIKey of 5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is BPTFRMFTHDKTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-5-7-13(8-6-11)15-12(2)20-16(18-15)17-10-14-4-3-9-19-14/h5-8,14H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 288.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4027576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).