N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine

C18H26N2S — CID 61333653

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine
SMILESCc1cccc(C(NC(C)C)c2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C18H26N2S/c1-12(2)19-16(14-9-7-8-13(3)10-14)17-20-15(11-21-17)18(4,5)6/h7-12,16,19H,1-6H3
InChIKeyJKHVMTPCVYYZNY-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.84
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine (PubChem CID 61333653) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine
PubChem CID61333653
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine
SMILESCc1cccc(C(NC(C)C)c2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C18H26N2S/c1-12(2)19-16(14-9-7-8-13(3)10-14)17-20-15(11-21-17)18(4,5)6/h7-12,16,19H,1-6H3
InChIKeyJKHVMTPCVYYZNY-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 61331627
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 61345199
N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61333244
N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335804
N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide
CID 56803375
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62122089
2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-2-(3-methylphenyl)acetic acid
CID 166287763
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3-methylphenyl)propan-1-amine
CID 83977458
N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 105402371
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 61331630
N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335982
N-[(4-propan-2-yl-1,3-thiazol-2-yl)-pyridin-3-ylmethyl]propan-2-amine
CID 61336198

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine (CID 61333653) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine is Cc1cccc(C(NC(C)C)c2nc(C(C)(C)C)cs2)c1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine?
The InChIKey is JKHVMTPCVYYZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-12(2)19-16(14-9-7-8-13(3)10-14)17-20-15(11-21-17)18(4,5)6/h7-12,16,19H,1-6H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine has a molecular weight of 302.49 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 61333653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).