1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C18H26N2S — CID 114362421

IUPAC1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(C(C)C)cc2)nc1C(C)(C)C
InChIInChI=1S/C18H26N2S/c1-12(2)13-7-9-14(10-8-13)17-20-16(18(3,4)5)15(21-17)11-19-6/h7-10,12,19H,11H2,1-6H3
InChIKeyQVUXHNYEXGFODK-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.95
Rot. Bonds4

About 1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114362421) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114362421
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(C(C)C)cc2)nc1C(C)(C)C
InChIInChI=1S/C18H26N2S/c1-12(2)13-7-9-14(10-8-13)17-20-16(18(3,4)5)15(21-17)11-19-6/h7-10,12,19H,11H2,1-6H3
InChIKeyQVUXHNYEXGFODK-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82438547
1-[4-tert-butyl-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362417
1-[2-(4-bromo-3,5-dimethylphenyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362506
1-[4-tert-butyl-2-(5-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362493
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106849657
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 106849680
1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362311
N-[[4-tert-butyl-2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362614
N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841372
N-[[4-tert-butyl-2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363274
N-[[4-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365080
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438551

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114362421) is 1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ccc(C(C)C)cc2)nc1C(C)(C)C.
What is the InChIKey of 1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is QVUXHNYEXGFODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-12(2)13-7-9-14(10-8-13)17-20-16(18(3,4)5)15(21-17)11-19-6/h7-10,12,19H,11H2,1-6H3.
What are the key properties of 1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 302.49 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114362421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).