1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine

C12H22N2OS — CID 82714724

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine
SMILESCC(C)CONCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H22N2OS/c1-9(2)7-15-13-6-11-14-10(8-16-11)12(3,4)5/h8-9,13H,6-7H2,1-5H3
InChIKeyUBDPTMCJHSSKQL-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.12
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine (PubChem CID 82714724) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine
PubChem CID82714724
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine
SMILESCC(C)CONCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H22N2OS/c1-9(2)7-15-13-6-11-14-10(8-16-11)12(3,4)5/h8-9,13H,6-7H2,1-5H3
InChIKeyUBDPTMCJHSSKQL-UHFFFAOYSA-N
XLogP3.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol
CID 114163592
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
(1R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348339
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxybutan-2-one
CID 79819953
3-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160624
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 79816956
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-iodopropan-1-amine
CID 114503717
(1R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377100
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
CID 116726484
5-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79816498

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine (CID 82714724) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine is CC(C)CONCc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine?
The InChIKey is UBDPTMCJHSSKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(2)7-15-13-6-11-14-10(8-16-11)12(3,4)5/h8-9,13H,6-7H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine has a molecular weight of 242.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine is sourced from PubChem (CID 82714724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).