4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine

C16H29N3S — CID 65077988

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine
SMILESCCN1CCCC(NC)(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C16H29N3S/c1-6-19-10-7-8-16(17-5,9-11-19)14-18-13(12-20-14)15(2,3)4/h12,17H,6-11H2,1-5H3
InChIKeyRJYLWZUQGFNZFO-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.36
Rot. Bonds3

About 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine

4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine (PubChem CID 65077988) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine
PubChem CID65077988
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine
SMILESCCN1CCCC(NC)(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C16H29N3S/c1-6-19-10-7-8-16(17-5,9-11-19)14-18-13(12-20-14)15(2,3)4/h12,17H,6-11H2,1-5H3
InChIKeyRJYLWZUQGFNZFO-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine (CID 65077988) is 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine is CCN1CCCC(NC)(c2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine?
The InChIKey is RJYLWZUQGFNZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-19-10-7-8-16(17-5,9-11-19)14-18-13(12-20-14)15(2,3)4/h12,17H,6-11H2,1-5H3.
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine?
4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine has a molecular weight of 295.50 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine is sourced from PubChem (CID 65077988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).