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

C18H28N2S — CID 63405358

IUPACN-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC2CC2)(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C18H28N2S/c1-2-4-13-9-11-18(12-10-13,20-14-7-8-14)17-19-15-5-3-6-16(15)21-17/h13-14,20H,2-12H2,1H3
InChIKeyRFBVCAZFERIMSV-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.57
Rot. Bonds5

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

N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine (PubChem CID 63405358) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine
PubChem CID63405358
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC2CC2)(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C18H28N2S/c1-2-4-13-9-11-18(12-10-13,20-14-7-8-14)17-19-15-5-3-6-16(15)21-17/h13-14,20H,2-12H2,1H3
InChIKeyRFBVCAZFERIMSV-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine (CID 63405358) is N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(NC2CC2)(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine?
The InChIKey is RFBVCAZFERIMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-2-4-13-9-11-18(12-10-13,20-14-7-8-14)17-19-15-5-3-6-16(15)21-17/h13-14,20H,2-12H2,1H3.
What are the key properties of N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine?
N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine has a molecular weight of 304.50 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63405358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).