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

C11H19N3S — CID 106033345

IUPAC[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCc1nc(CCN2CCC(CN)C2)cs1
InChIInChI=1S/C11H19N3S/c1-9-13-11(8-15-9)3-5-14-4-2-10(6-12)7-14/h8,10H,2-7,12H2,1H3
InChIKeyZXXDRQSVSWAARV-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.27
Rot. Bonds4

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

[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 106033345) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID106033345
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCc1nc(CCN2CCC(CN)C2)cs1
InChIInChI=1S/C11H19N3S/c1-9-13-11(8-15-9)3-5-14-4-2-10(6-12)7-14/h8,10H,2-7,12H2,1H3
InChIKeyZXXDRQSVSWAARV-UHFFFAOYSA-N
XLogP1.27
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 106042299
3-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91842742
4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043577
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106039600
[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062365
4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 29256300
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111934749
2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 106043488
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine (CID 106033345) is [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine is Cc1nc(CCN2CCC(CN)C2)cs1.
What is the InChIKey of [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is ZXXDRQSVSWAARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-13-11(8-15-9)3-5-14-4-2-10(6-12)7-14/h8,10H,2-7,12H2,1H3.
What are the key properties of [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine?
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 225.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106033345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).