4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine

C20H26ClN3S — CID 20628046

IUPAC4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
SMILESCN1CCC(N(C)c2nc(C3(c4ccc(Cl)cc4)CCCC3)cs2)C1
InChIInChI=1S/C20H26ClN3S/c1-23-12-9-17(13-23)24(2)19-22-18(14-25-19)20(10-3-4-11-20)15-5-7-16(21)8-6-15/h5-8,14,17H,3-4,9-13H2,1-2H3
InChIKeyKQFSXYSLHZRVQH-UHFFFAOYSA-N
MW375.97 g/mol
LogP4.80
Rot. Bonds4

About 4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine

4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 20628046) has the molecular formula C20H26ClN3S and a molecular weight of 375.97 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
PubChem CID20628046
Molecular FormulaC20H26ClN3S
Molecular Weight375.97 g/mol
Exact Mass375.15
IUPAC Name4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
SMILESCN1CCC(N(C)c2nc(C3(c4ccc(Cl)cc4)CCCC3)cs2)C1
InChIInChI=1S/C20H26ClN3S/c1-23-12-9-17(13-23)24(2)19-22-18(14-25-19)20(10-3-4-11-20)15-5-7-16(21)8-6-15/h5-8,14,17H,3-4,9-13H2,1-2H3
InChIKeyKQFSXYSLHZRVQH-UHFFFAOYSA-N
XLogP4.80
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.97
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine (CID 20628046) is 4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine is CN1CCC(N(C)c2nc(C3(c4ccc(Cl)cc4)CCCC3)cs2)C1.
What is the InChIKey of 4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is KQFSXYSLHZRVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3S/c1-23-12-9-17(13-23)24(2)19-22-18(14-25-19)20(10-3-4-11-20)15-5-7-16(21)8-6-15/h5-8,14,17H,3-4,9-13H2,1-2H3.
What are the key properties of 4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine?
4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 375.97 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)cyclopentyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 20628046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).