3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine

C12H21N3S — CID 79823502

IUPAC3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCC(C)(C(N)Cc1nccs1)N1CCCC1
InChIInChI=1S/C12H21N3S/c1-12(2,15-6-3-4-7-15)10(13)9-11-14-5-8-16-11/h5,8,10H,3-4,6-7,9,13H2,1-2H3
InChIKeyDREZRMHBDSIZSZ-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.89
Rot. Bonds4

About 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine

3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 79823502) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID79823502
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCC(C)(C(N)Cc1nccs1)N1CCCC1
InChIInChI=1S/C12H21N3S/c1-12(2,15-6-3-4-7-15)10(13)9-11-14-5-8-16-11/h5,8,10H,3-4,6-7,9,13H2,1-2H3
InChIKeyDREZRMHBDSIZSZ-UHFFFAOYSA-N
XLogP1.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 79824283
[3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105241191
3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 112643281
[3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105240194
3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116757294
3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79824374
1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056550
1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104802897
3-(azepan-1-yl)-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 79050927
3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79824612
4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine
CID 79056548
3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 82876806

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine (CID 79823502) is 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine is CC(C)(C(N)Cc1nccs1)N1CCCC1.
What is the InChIKey of 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is DREZRMHBDSIZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2,15-6-3-4-7-15)10(13)9-11-14-5-8-16-11/h5,8,10H,3-4,6-7,9,13H2,1-2H3.
What are the key properties of 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine?
3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 79823502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).