[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine

C9H15N3S — CID 24698861

IUPAC[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
SMILESCc1csc(N2CCC(CN)C2)n1
InChIInChI=1S/C9H15N3S/c1-7-6-13-9(11-7)12-3-2-8(4-10)5-12/h6,8H,2-5,10H2,1H3
InChIKeyZOMNXUZMVFDMRA-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.24
Rot. Bonds2

About [1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine

[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 24698861) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is [1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID24698861
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
SMILESCc1csc(N2CCC(CN)C2)n1
InChIInChI=1S/C9H15N3S/c1-7-6-13-9(11-7)12-3-2-8(4-10)5-12/h6,8H,2-5,10H2,1H3
InChIKeyZOMNXUZMVFDMRA-UHFFFAOYSA-N
XLogP1.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(bromomethyl)piperidin-1-yl]-4-methyl-1,3-thiazole
CID 80668941
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 115300939
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425
[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine
CID 64581632
[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine
CID 79400151
4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole
CID 62480503
2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 63339957
1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde
CID 62663442
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238
N-methyl-N-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]cyclopropanesulfonamide
CID 171324302
1-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanol
CID 106837283
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30078408

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine (CID 24698861) is [1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine is Cc1csc(N2CCC(CN)C2)n1.
What is the InChIKey of [1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is ZOMNXUZMVFDMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-6-13-9(11-7)12-3-2-8(4-10)5-12/h6,8H,2-5,10H2,1H3.
What are the key properties of [1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine?
[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 197.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 24698861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).