2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine

C13H23N3S — CID 116888539

IUPAC2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine
SMILESCN1CCC(c2nc(CCC(C)(C)N)cs2)C1
InChIInChI=1S/C13H23N3S/c1-13(2,14)6-4-11-9-17-12(15-11)10-5-7-16(3)8-10/h9-10H,4-8,14H2,1-3H3
InChIKeyAOFMSTWTUKLSMU-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.23
Rot. Bonds4

About 2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine

2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine (PubChem CID 116888539) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine
PubChem CID116888539
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine
SMILESCN1CCC(c2nc(CCC(C)(C)N)cs2)C1
InChIInChI=1S/C13H23N3S/c1-13(2,14)6-4-11-9-17-12(15-11)10-5-7-16(3)8-10/h9-10H,4-8,14H2,1-3H3
InChIKeyAOFMSTWTUKLSMU-UHFFFAOYSA-N
XLogP2.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine 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-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine
CID 116888534
4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 70641697
2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898480
4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]butan-2-one
CID 116890294
3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888471
2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888678
N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116888553
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898479
2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 96900907
3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891384
[1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol
CID 116891068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine?
The IUPAC name of 2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine (CID 116888539) is 2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine.
What is the SMILES notation for 2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine?
The canonical SMILES for 2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine is CN1CCC(c2nc(CCC(C)(C)N)cs2)C1.
What is the InChIKey of 2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine?
The InChIKey is AOFMSTWTUKLSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-13(2,14)6-4-11-9-17-12(15-11)10-5-7-16(3)8-10/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine?
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine is sourced from PubChem (CID 116888539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).