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

C10H17N3OS — CID 63703954

IUPAC4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol
SMILESCc1nc(CN(C)C2CNCC2O)cs1
InChIInChI=1S/C10H17N3OS/c1-7-12-8(6-15-7)5-13(2)9-3-11-4-10(9)14/h6,9-11,14H,3-5H2,1-2H3
InChIKeyQFVZMHUCRKOUBA-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.22
Rot. Bonds3

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

4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol (PubChem CID 63703954) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol
PubChem CID63703954
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol
SMILESCc1nc(CN(C)C2CNCC2O)cs1
InChIInChI=1S/C10H17N3OS/c1-7-12-8(6-15-7)5-13(2)9-3-11-4-10(9)14/h6,9-11,14H,3-5H2,1-2H3
InChIKeyQFVZMHUCRKOUBA-UHFFFAOYSA-N
XLogP0.22
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 71988459
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 65199177
(3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 98540715
2-(ethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 80998760
5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol
CID 66055373
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107436138
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide
CID 63177175
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methylazetidin-3-amine
CID 66186891
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119841640

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol?
The IUPAC name of 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol (CID 63703954) is 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol?
The canonical SMILES for 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol is Cc1nc(CN(C)C2CNCC2O)cs1.
What is the InChIKey of 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol?
The InChIKey is QFVZMHUCRKOUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-12-8(6-15-7)5-13(2)9-3-11-4-10(9)14/h6,9-11,14H,3-5H2,1-2H3.
What are the key properties of 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol?
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol has a molecular weight of 227.33 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol is sourced from PubChem (CID 63703954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).