4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C10H18ClN3OS — CID 120962338

IUPAC4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCc1ncc(CNCC2CNCC2O)s1.Cl
InChIInChI=1S/C10H17N3OS.ClH/c1-7-13-5-9(15-7)4-11-2-8-3-12-6-10(8)14;/h5,8,10-12,14H,2-4,6H2,1H3;1H
InChIKeyIZUDEGDOHAXQFW-UHFFFAOYSA-N
MW263.79 g/mol
LogP0.54
Rot. Bonds4

About 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962338) has the molecular formula C10H18ClN3OS and a molecular weight of 263.79 g/mol. Its IUPAC name is 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962338
Molecular FormulaC10H18ClN3OS
Molecular Weight263.79 g/mol
Exact Mass263.09
IUPAC Name4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCc1ncc(CNCC2CNCC2O)s1.Cl
InChIInChI=1S/C10H17N3OS.ClH/c1-7-13-5-9(15-7)4-11-2-8-3-12-6-10(8)14;/h5,8,10-12,14H,2-4,6H2,1H3;1H
InChIKeyIZUDEGDOHAXQFW-UHFFFAOYSA-N
XLogP0.54
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961852
4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963038
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758
1-(2-methylcyclopentyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107417627
4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962467
4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine
CID 79208325
4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63714175
N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119861838
4-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962125
4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962948
4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962374
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963056

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962338) is 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cc1ncc(CNCC2CNCC2O)s1.Cl.
What is the InChIKey of 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is IZUDEGDOHAXQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.ClH/c1-7-13-5-9(15-7)4-11-2-8-3-12-6-10(8)14;/h5,8,10-12,14H,2-4,6H2,1H3;1H.
What are the key properties of 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 263.79 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).