1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine

C17H28N2S — CID 65086029

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine
SMILESCCNC1(c2nc3c(s2)CCC3)CCCC(CC)CC1
InChIInChI=1S/C17H28N2S/c1-3-13-7-6-11-17(12-10-13,18-4-2)16-19-14-8-5-9-15(14)20-16/h13,18H,3-12H2,1-2H3
InChIKeyWRIRZMNJXXTAEO-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.43
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine (PubChem CID 65086029) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine
PubChem CID65086029
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine
SMILESCCNC1(c2nc3c(s2)CCC3)CCCC(CC)CC1
InChIInChI=1S/C17H28N2S/c1-3-13-7-6-11-17(12-10-13,18-4-2)16-19-14-8-5-9-15(14)20-16/h13,18H,3-12H2,1-2H3
InChIKeyWRIRZMNJXXTAEO-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine
CID 65085678
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethylcyclooctan-1-amine
CID 61332209
N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 65084641
N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 63405345
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 64513823
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylcyclobutan-1-amine
CID 61333808
4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61338476
N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine
CID 63405358
N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085927
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-1,3-dihydroinden-2-amine
CID 61332218
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine
CID 61332392
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63405857

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine (CID 65086029) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine is CCNC1(c2nc3c(s2)CCC3)CCCC(CC)CC1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine?
The InChIKey is WRIRZMNJXXTAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-3-13-7-6-11-17(12-10-13,18-4-2)16-19-14-8-5-9-15(14)20-16/h13,18H,3-12H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine is sourced from PubChem (CID 65086029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).