(3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride

C19H26ClN3S — CID 120769839

IUPAC(3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(Cc2cnc(C3CCCC3)s2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H25N3S.ClH/c20-18-13-22(12-17(18)14-6-2-1-3-7-14)11-16-10-21-19(23-16)15-8-4-5-9-15;/h1-3,6-7,10,15,17-18H,4-5,8-9,11-13,20H2;1H/t17-,18+;/m0./s1
InChIKeyZYGOVTKEIVQMOA-CJRXIRLBSA-N
MW363.96 g/mol
LogP4.15
Rot. Bonds4

About (3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride

(3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride (PubChem CID 120769839) has the molecular formula C19H26ClN3S and a molecular weight of 363.96 g/mol. Its IUPAC name is (3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
PubChem CID120769839
Molecular FormulaC19H26ClN3S
Molecular Weight363.96 g/mol
Exact Mass363.15
IUPAC Name(3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(Cc2cnc(C3CCCC3)s2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H25N3S.ClH/c20-18-13-22(12-17(18)14-6-2-1-3-7-14)11-16-10-21-19(23-16)15-8-4-5-9-15;/h1-3,6-7,10,15,17-18H,4-5,8-9,11-13,20H2;1H/t17-,18+;/m0./s1
InChIKeyZYGOVTKEIVQMOA-CJRXIRLBSA-N
XLogP4.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.96
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride with MolForge

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Related Compounds

(3S,4R)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770237
(3S,4R)-4-phenyl-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 120770481
(3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770297
[(3R,4R)-1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769803
[(3R,4R)-4-phenyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120769288
(3S,4R)-4-phenyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
CID 120846765
(3S,4R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120846852
[(3R,4R)-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758737
(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 120769866
(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770504
[(3R,4R)-4-phenyl-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120769416
(3S,4R)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120761506

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride (CID 120769839) is (3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CN(Cc2cnc(C3CCCC3)s2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
The InChIKey is ZYGOVTKEIVQMOA-CJRXIRLBSA-N. The full InChI is InChI=1S/C19H25N3S.ClH/c20-18-13-22(12-17(18)14-6-2-1-3-7-14)11-16-10-21-19(23-16)15-8-4-5-9-15;/h1-3,6-7,10,15,17-18H,4-5,8-9,11-13,20H2;1H/t17-,18+;/m0./s1.
What are the key properties of (3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
(3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride has a molecular weight of 363.96 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120769839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).