(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

C13H18ClN5OS — CID 97217447

IUPAC(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(C)[C@@H]2CCN(Cc3nnsc3Cl)C2)o1
InChIInChI=1S/C13H18ClN5OS/c1-9-5-15-12(20-9)8-18(2)10-3-4-19(6-10)7-11-13(14)21-17-16-11/h5,10H,3-4,6-8H2,1-2H3/t10-/m1/s1
InChIKeyKTYHKIVWEQPNNV-SNVBAGLBSA-N
MW327.84 g/mol
LogP2.19
Rot. Bonds5

About (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 97217447) has the molecular formula C13H18ClN5OS and a molecular weight of 327.84 g/mol. Its IUPAC name is (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID97217447
Molecular FormulaC13H18ClN5OS
Molecular Weight327.84 g/mol
Exact Mass327.09
IUPAC Name(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(C)[C@@H]2CCN(Cc3nnsc3Cl)C2)o1
InChIInChI=1S/C13H18ClN5OS/c1-9-5-15-12(20-9)8-18(2)10-3-4-19(6-10)7-11-13(14)21-17-16-11/h5,10H,3-4,6-8H2,1-2H3/t10-/m1/s1
InChIKeyKTYHKIVWEQPNNV-SNVBAGLBSA-N
XLogP2.19
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-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 (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (CID 97217447) is (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is Cc1cnc(CN(C)[C@@H]2CCN(Cc3nnsc3Cl)C2)o1.
What is the InChIKey of (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is KTYHKIVWEQPNNV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18ClN5OS/c1-9-5-15-12(20-9)8-18(2)10-3-4-19(6-10)7-11-13(14)21-17-16-11/h5,10H,3-4,6-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 327.84 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 97217447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).