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

C17H27N3S2 — CID 102558205

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCCc1nc(C)c(C(C)N(C)Cc2csc(C(C)(C)C)n2)s1
InChIInChI=1S/C17H27N3S2/c1-8-14-18-11(2)15(22-14)12(3)20(7)9-13-10-21-16(19-13)17(4,5)6/h10,12H,8-9H2,1-7H3
InChIKeyVJNHMBYHUPQFEZ-UHFFFAOYSA-N
MW337.56 g/mol
LogP4.96
Rot. Bonds5

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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine (PubChem CID 102558205) has the molecular formula C17H27N3S2 and a molecular weight of 337.56 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
PubChem CID102558205
Molecular FormulaC17H27N3S2
Molecular Weight337.56 g/mol
Exact Mass337.16
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCCc1nc(C)c(C(C)N(C)Cc2csc(C(C)(C)C)n2)s1
InChIInChI=1S/C17H27N3S2/c1-8-14-18-11(2)15(22-14)12(3)20(7)9-13-10-21-16(19-13)17(4,5)6/h10,12H,8-9H2,1-7H3
InChIKeyVJNHMBYHUPQFEZ-UHFFFAOYSA-N
XLogP4.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.56
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine (CID 102558205) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine is CCc1nc(C)c(C(C)N(C)Cc2csc(C(C)(C)C)n2)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
The InChIKey is VJNHMBYHUPQFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S2/c1-8-14-18-11(2)15(22-14)12(3)20(7)9-13-10-21-16(19-13)17(4,5)6/h10,12H,8-9H2,1-7H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine has a molecular weight of 337.56 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 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]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 102558205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).