N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine

C11H18N6S — CID 63121121

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
SMILESCC(NCc1cnc(C(C)(C)C)s1)c1nn[nH]n1
InChIInChI=1S/C11H18N6S/c1-7(9-14-16-17-15-9)12-5-8-6-13-10(18-8)11(2,3)4/h6-7,12H,5H2,1-4H3,(H,14,15,16,17)
InChIKeyTYVHOKHTXXYVDV-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.80
Rot. Bonds4

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (PubChem CID 63121121) has the molecular formula C11H18N6S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
PubChem CID63121121
Molecular FormulaC11H18N6S
Molecular Weight266.37 g/mol
Exact Mass266.13
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
SMILESCC(NCc1cnc(C(C)(C)C)s1)c1nn[nH]n1
InChIInChI=1S/C11H18N6S/c1-7(9-14-16-17-15-9)12-5-8-6-13-10(18-8)11(2,3)4/h6-7,12H,5H2,1-4H3,(H,14,15,16,17)
InChIKeyTYVHOKHTXXYVDV-UHFFFAOYSA-N
XLogP1.80
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (CID 63121121) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine is CC(NCc1cnc(C(C)(C)C)s1)c1nn[nH]n1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The InChIKey is TYVHOKHTXXYVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S/c1-7(9-14-16-17-15-9)12-5-8-6-13-10(18-8)11(2,3)4/h6-7,12H,5H2,1-4H3,(H,14,15,16,17).
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine has a molecular weight of 266.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine is sourced from PubChem (CID 63121121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).