(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine

C14H17ClN4S — CID 166253779

IUPAC(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine
SMILESN[C@@H]1CN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H]1N
InChIInChI=1S/C14H17ClN4S/c15-10-3-1-9(2-4-10)14-18-11(8-20-14)5-19-6-12(16)13(17)7-19/h1-4,8,12-13H,5-7,16-17H2/t12-,13-/m1/s1
InChIKeyBFWYAMOSHJHREH-CHWSQXEVSA-N
MW308.84 g/mol
LogP1.93
Rot. Bonds3

About (3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine

(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine (PubChem CID 166253779) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is (3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine.

Molecular Properties

Compound Name(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine
PubChem CID166253779
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine
SMILESN[C@@H]1CN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H]1N
InChIInChI=1S/C14H17ClN4S/c15-10-3-1-9(2-4-10)14-18-11(8-20-14)5-19-6-12(16)13(17)7-19/h1-4,8,12-13H,5-7,16-17H2/t12-,13-/m1/s1
InChIKeyBFWYAMOSHJHREH-CHWSQXEVSA-N
XLogP1.93
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine 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

1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909373
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole
CID 55591542
5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79992782
2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 46083181
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908908
1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 34019768
[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062365
2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 27182199
2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 30184342
2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22196990
4-chloro-2-(4-chlorophenyl)-1,3-thiazole
CID 83158200

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine?
The IUPAC name of (3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine (CID 166253779) is (3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine.
What is the SMILES notation for (3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine?
The canonical SMILES for (3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine is N[C@@H]1CN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H]1N.
What is the InChIKey of (3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine?
The InChIKey is BFWYAMOSHJHREH-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H17ClN4S/c15-10-3-1-9(2-4-10)14-18-11(8-20-14)5-19-6-12(16)13(17)7-19/h1-4,8,12-13H,5-7,16-17H2/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine?
(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine has a molecular weight of 308.84 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine is sourced from PubChem (CID 166253779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).