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

C20H22ClN3S — CID 120770297

IUPAC(3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(Cc2ncc(-c3ccccc3)s2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H21N3S.ClH/c21-18-13-23(12-17(18)15-7-3-1-4-8-15)14-20-22-11-19(24-20)16-9-5-2-6-10-16;/h1-11,17-18H,12-14,21H2;1H/t17-,18+;/m0./s1
InChIKeyMFJXLYMEJKXNLP-CJRXIRLBSA-N
MW371.94 g/mol
LogP4.16
Rot. Bonds4

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

(3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120770297) has the molecular formula C20H22ClN3S and a molecular weight of 371.94 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120770297
Molecular FormulaC20H22ClN3S
Molecular Weight371.94 g/mol
Exact Mass371.12
IUPAC Name(3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(Cc2ncc(-c3ccccc3)s2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H21N3S.ClH/c21-18-13-23(12-17(18)15-7-3-1-4-8-15)14-20-22-11-19(24-20)16-9-5-2-6-10-16;/h1-11,17-18H,12-14,21H2;1H/t17-,18+;/m0./s1
InChIKeyMFJXLYMEJKXNLP-CJRXIRLBSA-N
XLogP4.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.94
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
CID 120909531
(3S,4R)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770237
(3S,4R)-4-phenyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
CID 120846765
2-[(5-phenyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
CID 119034119
(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770504
(3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769839
(3S,4R)-4-phenyl-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 120770481
[(3R,4R)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769339
[(3R,4R)-4-phenyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120769343
(3S,4R)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769889
(3S,4R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120846852
(3S,4R)-1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120760956

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120770297) is (3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CN(Cc2ncc(-c3ccccc3)s2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is MFJXLYMEJKXNLP-CJRXIRLBSA-N. The full InChI is InChI=1S/C20H21N3S.ClH/c21-18-13-23(12-17(18)15-7-3-1-4-8-15)14-20-22-11-19(24-20)16-9-5-2-6-10-16;/h1-11,17-18H,12-14,21H2;1H/t17-,18+;/m0./s1.
What are the key properties of (3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
(3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 371.94 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120770297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).