N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine

C14H23N3S — CID 65077299

IUPACN-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine
SMILESCCN1CCCC(NC2CC2)(c2nccs2)CC1
InChIInChI=1S/C14H23N3S/c1-2-17-9-3-6-14(7-10-17,16-12-4-5-12)13-15-8-11-18-13/h8,11-12,16H,2-7,9-10H2,1H3
InChIKeyONIZBRUEQJKJME-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.60
Rot. Bonds4

About N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine

N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine (PubChem CID 65077299) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine
PubChem CID65077299
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine
SMILESCCN1CCCC(NC2CC2)(c2nccs2)CC1
InChIInChI=1S/C14H23N3S/c1-2-17-9-3-6-14(7-10-17,16-12-4-5-12)13-15-8-11-18-13/h8,11-12,16H,2-7,9-10H2,1H3
InChIKeyONIZBRUEQJKJME-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine?
The IUPAC name of N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine (CID 65077299) is N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine.
What is the SMILES notation for N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine?
The canonical SMILES for N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine is CCN1CCCC(NC2CC2)(c2nccs2)CC1.
What is the InChIKey of N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine?
The InChIKey is ONIZBRUEQJKJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-17-9-3-6-14(7-10-17,16-12-4-5-12)13-15-8-11-18-13/h8,11-12,16H,2-7,9-10H2,1H3.
What are the key properties of N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine?
N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine has a molecular weight of 265.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine is sourced from PubChem (CID 65077299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).