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

C15H28N2S — CID 114363063

IUPACN-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCCCCc1nc(C(C)(C)C)c(CNC(C)C)s1
InChIInChI=1S/C15H28N2S/c1-7-8-9-13-17-14(15(4,5)6)12(18-13)10-16-11(2)3/h11,16H,7-10H2,1-6H3
InChIKeyITFZHYOAEOKPSE-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.28
Rot. Bonds6

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

N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 114363063) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID114363063
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCCCCc1nc(C(C)(C)C)c(CNC(C)C)s1
InChIInChI=1S/C15H28N2S/c1-7-8-9-13-17-14(15(4,5)6)12(18-13)10-16-11(2)3/h11,16H,7-10H2,1-6H3
InChIKeyITFZHYOAEOKPSE-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82438789
N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114363090
N-[[4-tert-butyl-2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82439313
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
N-[[4-tert-butyl-2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82439489
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62766344
N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82438412
N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114362981
N-[[4-tert-butyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362510
N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362625
N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82438785
N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429278

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 114363063) is N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine is CCCCc1nc(C(C)(C)C)c(CNC(C)C)s1.
What is the InChIKey of N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is ITFZHYOAEOKPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-7-8-9-13-17-14(15(4,5)6)12(18-13)10-16-11(2)3/h11,16H,7-10H2,1-6H3.
What are the key properties of N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 268.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 114363063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).