N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine

C18H26N2S — CID 82102760

IUPACN-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
SMILESCc1sc(CCNC(C)C)nc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H26N2S/c1-12(2)15-6-8-16(9-7-15)18-14(5)21-17(20-18)10-11-19-13(3)4/h6-9,12-13,19H,10-11H2,1-5H3
InChIKeyXHRMSWVPYAGZMR-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.78
Rot. Bonds6

About N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine

N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine (PubChem CID 82102760) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
PubChem CID82102760
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
SMILESCc1sc(CCNC(C)C)nc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H26N2S/c1-12(2)15-6-8-16(9-7-15)18-14(5)21-17(20-18)10-11-19-13(3)4/h6-9,12-13,19H,10-11H2,1-5H3
InChIKeyXHRMSWVPYAGZMR-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
CID 39349446
5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 39373637
N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82102720
N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine
CID 82102862
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119893382
N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 82102767
1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242464
2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 133490478
2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-methylethanamine
CID 82103000
N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine
CID 82103043
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine (CID 82102760) is N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine is Cc1sc(CCNC(C)C)nc1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is XHRMSWVPYAGZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-12(2)15-6-8-16(9-7-15)18-14(5)21-17(20-18)10-11-19-13(3)4/h6-9,12-13,19H,10-11H2,1-5H3.
What are the key properties of N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 302.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 82102760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).