5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine

C10H17N3S — CID 79014971

IUPAC5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCCCC2)s1
InChIInChI=1S/C10H17N3S/c11-10-12-7-9(14-10)8-13-5-3-1-2-4-6-13/h7H,1-6,8H2,(H2,11,12)
InChIKeySWQKXUQCJCJEGE-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.10
Rot. Bonds2

About 5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine

5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 79014971) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine
PubChem CID79014971
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCCCC2)s1
InChIInChI=1S/C10H17N3S/c11-10-12-7-9(14-10)8-13-5-3-1-2-4-6-13/h7H,1-6,8H2,(H2,11,12)
InChIKeySWQKXUQCJCJEGE-UHFFFAOYSA-N
XLogP2.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine (CID 79014971) is 5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine is Nc1ncc(CN2CCCCCC2)s1.
What is the InChIKey of 5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is SWQKXUQCJCJEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c11-10-12-7-9(14-10)8-13-5-3-1-2-4-6-13/h7H,1-6,8H2,(H2,11,12).
What are the key properties of 5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine?
5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79014971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).