(3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride

C20H29ClN4S — CID 120770039

IUPAC(3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(C)N1CCc2nc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)sc2C1.Cl
InChIInChI=1S/C20H28N4S.ClH/c1-14(2)24-9-8-18-19(12-24)25-20(22-18)13-23-10-16(17(21)11-23)15-6-4-3-5-7-15;/h3-7,14,16-17H,8-13,21H2,1-2H3;1H/t16-,17+;/m0./s1
InChIKeyJFDWTWNJSYHGKV-MCJVGQIASA-N
MW393.00 g/mol
LogP3.26
Rot. Bonds4

About (3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride

(3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120770039) has the molecular formula C20H29ClN4S and a molecular weight of 393.00 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120770039
Molecular FormulaC20H29ClN4S
Molecular Weight393.00 g/mol
Exact Mass392.18
IUPAC Name(3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(C)N1CCc2nc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)sc2C1.Cl
InChIInChI=1S/C20H28N4S.ClH/c1-14(2)24-9-8-18-19(12-24)25-20(22-18)13-23-10-16(17(21)11-23)15-6-4-3-5-7-15;/h3-7,14,16-17H,8-13,21H2,1-2H3;1H/t16-,17+;/m0./s1
InChIKeyJFDWTWNJSYHGKV-MCJVGQIASA-N
XLogP3.26
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.00
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-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

(3S,4R)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770237
(3S,4R)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769889
(3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770297
N-methyl-1-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanamine
CID 62545145
(3S,4R)-4-phenyl-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 120770481
2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82098355
2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
CID 55156826
N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
CID 62543027
(3S,4R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846823
(3S,4R)-4-phenyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 120761556
(3S,4R)-4-phenyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
CID 120846765
(3S,4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770225

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120770039) is (3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride is CC(C)N1CCc2nc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)sc2C1.Cl.
What is the InChIKey of (3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is JFDWTWNJSYHGKV-MCJVGQIASA-N. The full InChI is InChI=1S/C20H28N4S.ClH/c1-14(2)24-9-8-18-19(12-24)25-20(22-18)13-23-10-16(17(21)11-23)15-6-4-3-5-7-15;/h3-7,14,16-17H,8-13,21H2,1-2H3;1H/t16-,17+;/m0./s1.
What are the key properties of (3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
(3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 393.00 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120770039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).