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

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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).