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

C14H21N3S2 — CID 115592117

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCc2csc(C(C)(C)C)n2)n1
InChIInChI=1S/C14H21N3S2/c1-10-8-18-12(16-10)5-6-15-7-11-9-19-13(17-11)14(2,3)4/h8-9,15H,5-7H2,1-4H3
InChIKeyXMEJUJIBUNLHJC-UHFFFAOYSA-N
MW295.48 g/mol
LogP3.54
Rot. Bonds5

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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115592117) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115592117
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCc2csc(C(C)(C)C)n2)n1
InChIInChI=1S/C14H21N3S2/c1-10-8-18-12(16-10)5-6-15-7-11-9-19-13(17-11)14(2,3)4/h8-9,15H,5-7H2,1-4H3
InChIKeyXMEJUJIBUNLHJC-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811
N-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 103399092
N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55027046
N-[(5-methyl-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 80708302
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396454
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 115683967
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 115591920
6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol
CID 103924140
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112582356
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 61035312
3,3-dimethyl-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butane-1,2-diamine
CID 112555997
N-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]methanesulfonamide
CID 49463526

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 115592117) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CCNCc2csc(C(C)(C)C)n2)n1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is XMEJUJIBUNLHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-10-8-18-12(16-10)5-6-15-7-11-9-19-13(17-11)14(2,3)4/h8-9,15H,5-7H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 295.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115592117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).