N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine

C18H22N2S — CID 79972579

IUPACN-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CC2)cc1)c1nc2c(s1)CCC2
InChIInChI=1S/C18H22N2S/c1-2-19-17(18-20-15-4-3-5-16(15)21-18)14-10-8-13(9-11-14)12-6-7-12/h8-12,17,19H,2-7H2,1H3
InChIKeyPDWQDHAAUUXSNR-UHFFFAOYSA-N
MW298.46 g/mol
LogP4.21
Rot. Bonds5

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

N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine (PubChem CID 79972579) has the molecular formula C18H22N2S and a molecular weight of 298.46 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
PubChem CID79972579
Molecular FormulaC18H22N2S
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC NameN-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CC2)cc1)c1nc2c(s1)CCC2
InChIInChI=1S/C18H22N2S/c1-2-19-17(18-20-15-4-3-5-16(15)21-18)14-10-8-13(9-11-14)12-6-7-12/h8-12,17,19H,2-7H2,1H3
InChIKeyPDWQDHAAUUXSNR-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine (CID 79972579) is N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine is CCNC(c1ccc(C2CC2)cc1)c1nc2c(s1)CCC2.
What is the InChIKey of N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine?
The InChIKey is PDWQDHAAUUXSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-2-19-17(18-20-15-4-3-5-16(15)21-18)14-10-8-13(9-11-14)12-6-7-12/h8-12,17,19H,2-7H2,1H3.
What are the key properties of N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine?
N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine has a molecular weight of 298.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 79972579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).