N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine

C16H29N3S — CID 65077498

IUPACN,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine
SMILESCCNC1(c2nc(CC)c(C)s2)CCCN(CC)CC1
InChIInChI=1S/C16H29N3S/c1-5-14-13(4)20-15(18-14)16(17-6-2)9-8-11-19(7-3)12-10-16/h17H,5-12H2,1-4H3
InChIKeyVOZUGORKSQLHIC-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.32
Rot. Bonds5

About N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine

N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine (PubChem CID 65077498) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine.

Molecular Properties

Compound NameN,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine
PubChem CID65077498
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine
SMILESCCNC1(c2nc(CC)c(C)s2)CCCN(CC)CC1
InChIInChI=1S/C16H29N3S/c1-5-14-13(4)20-15(18-14)16(17-6-2)9-8-11-19(7-3)12-10-16/h17H,5-12H2,1-4H3
InChIKeyVOZUGORKSQLHIC-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine
CID 65078039
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61332758
N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine
CID 61330052
4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine
CID 65077598
N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine
CID 61332756
4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methyl-N-propylpiperidin-4-amine
CID 61336145
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclobutan-1-amine
CID 61334037
N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine
CID 61334084
3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine
CID 62977540
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,4-dimethylcyclohexan-1-amine
CID 64746458
3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 62977359
4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine
CID 65079472

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine?
The IUPAC name of N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine (CID 65077498) is N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine.
What is the SMILES notation for N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine?
The canonical SMILES for N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine is CCNC1(c2nc(CC)c(C)s2)CCCN(CC)CC1.
What is the InChIKey of N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine?
The InChIKey is VOZUGORKSQLHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-14-13(4)20-15(18-14)16(17-6-2)9-8-11-19(7-3)12-10-16/h17H,5-12H2,1-4H3.
What are the key properties of N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine?
N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine has a molecular weight of 295.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine is sourced from PubChem (CID 65077498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).