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

C18H30N2S — CID 65085678

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine
SMILESCCC1CCCC(NC(C)C)(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C18H30N2S/c1-4-14-7-6-11-18(12-10-14,20-13(2)3)17-19-15-8-5-9-16(15)21-17/h13-14,20H,4-12H2,1-3H3
InChIKeyWUPJHPHCRRTIKY-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.82
Rot. Bonds4

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

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine (PubChem CID 65085678) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine
PubChem CID65085678
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine
SMILESCCC1CCCC(NC(C)C)(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C18H30N2S/c1-4-14-7-6-11-18(12-10-14,20-13(2)3)17-19-15-8-5-9-16(15)21-17/h13-14,20H,4-12H2,1-3H3
InChIKeyWUPJHPHCRRTIKY-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine (CID 65085678) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine is CCC1CCCC(NC(C)C)(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine?
The InChIKey is WUPJHPHCRRTIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-4-14-7-6-11-18(12-10-14,20-13(2)3)17-19-15-8-5-9-16(15)21-17/h13-14,20H,4-12H2,1-3H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 4.82, 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)-4-ethyl-N-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65085678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).