2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine

C11H19N3S — CID 82427864

IUPAC2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine
SMILESCc1nc(N2CCCC2)sc1C(C)(C)N
InChIInChI=1S/C11H19N3S/c1-8-9(11(2,3)12)15-10(13-8)14-6-4-5-7-14/h4-7,12H2,1-3H3
InChIKeyDSNNPQGQVGSQDZ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.25
Rot. Bonds2

About 2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine

2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine (PubChem CID 82427864) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine
PubChem CID82427864
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine
SMILESCc1nc(N2CCCC2)sc1C(C)(C)N
InChIInChI=1S/C11H19N3S/c1-8-9(11(2,3)12)15-10(13-8)14-6-4-5-7-14/h4-7,12H2,1-3H3
InChIKeyDSNNPQGQVGSQDZ-UHFFFAOYSA-N
XLogP2.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427984
(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 46785718
2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427948
5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
CID 82427860
2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole
CID 83558280
2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427967
5-methyl-2-piperidin-1-yl-1,3-thiazol-4-amine
CID 83108734
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724
1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62752785
3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine
CID 76996795
2-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82427472
N-[[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55117264

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine (CID 82427864) is 2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine is Cc1nc(N2CCCC2)sc1C(C)(C)N.
What is the InChIKey of 2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is DSNNPQGQVGSQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-9(11(2,3)12)15-10(13-8)14-6-4-5-7-14/h4-7,12H2,1-3H3.
What are the key properties of 2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine?
2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 82427864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).