4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

C17H33N3S — CID 63514965

IUPAC4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)CC(C)CC)nc1C(C)(C)C
InChIInChI=1S/C17H33N3S/c1-8-10-18-11-14-15(17(4,5)6)19-16(21-14)20(7)12-13(3)9-2/h13,18H,8-12H2,1-7H3
InChIKeyZMCMMPKBSOTEPT-UHFFFAOYSA-N
MW311.54 g/mol
LogP4.42
Rot. Bonds8

About 4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 63514965) has the molecular formula C17H33N3S and a molecular weight of 311.54 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID63514965
Molecular FormulaC17H33N3S
Molecular Weight311.54 g/mol
Exact Mass311.24
IUPAC Name4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)CC(C)CC)nc1C(C)(C)C
InChIInChI=1S/C17H33N3S/c1-8-10-18-11-14-15(17(4,5)6)19-16(21-14)20(7)12-13(3)9-2/h13,18H,8-12H2,1-7H3
InChIKeyZMCMMPKBSOTEPT-UHFFFAOYSA-N
XLogP4.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 63514965) is 4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)CC(C)CC)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is ZMCMMPKBSOTEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3S/c1-8-10-18-11-14-15(17(4,5)6)19-16(21-14)20(7)12-13(3)9-2/h13,18H,8-12H2,1-7H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 311.54 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63514965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).