(3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine

C16H21N3S — CID 124680053

IUPAC(3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCN1CC[C@H](N(C)Cc2cnc(-c3ccccc3)s2)C1
InChIInChI=1S/C16H21N3S/c1-18-9-8-14(11-18)19(2)12-15-10-17-16(20-15)13-6-4-3-5-7-13/h3-7,10,14H,8-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyHMWWZBHSSBOAOX-AWEZNQCLSA-N
MW287.43 g/mol
LogP2.95
Rot. Bonds4

About (3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine

(3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 124680053) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is (3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID124680053
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name(3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCN1CC[C@H](N(C)Cc2cnc(-c3ccccc3)s2)C1
InChIInChI=1S/C16H21N3S/c1-18-9-8-14(11-18)19(2)12-15-10-17-16(20-15)13-6-4-3-5-7-13/h3-7,10,14H,8-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyHMWWZBHSSBOAOX-AWEZNQCLSA-N
XLogP2.95
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine 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 (3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine (CID 124680053) is (3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine is CN1CC[C@H](N(C)Cc2cnc(-c3ccccc3)s2)C1.
What is the InChIKey of (3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is HMWWZBHSSBOAOX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3S/c1-18-9-8-14(11-18)19(2)12-15-10-17-16(20-15)13-6-4-3-5-7-13/h3-7,10,14H,8-9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
(3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 287.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 124680053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).