N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride

C18H25ClN4O2S — CID 120963160

IUPACN-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CNCC2CNCC2O)cs1.Cl
InChIInChI=1S/C18H24N4O2S.ClH/c1-12-3-5-16(6-4-12)22(13(2)23)18-21-15(11-25-18)9-19-7-14-8-20-10-17(14)24;/h3-6,11,14,17,19-20,24H,7-10H2,1-2H3;1H
InChIKeyWFRWDKLLLPLGDS-UHFFFAOYSA-N
MW396.94 g/mol
LogP2.23
Rot. Bonds6

About N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride

N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120963160) has the molecular formula C18H25ClN4O2S and a molecular weight of 396.94 g/mol. Its IUPAC name is N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120963160
Molecular FormulaC18H25ClN4O2S
Molecular Weight396.94 g/mol
Exact Mass396.14
IUPAC NameN-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CNCC2CNCC2O)cs1.Cl
InChIInChI=1S/C18H24N4O2S.ClH/c1-12-3-5-16(6-4-12)22(13(2)23)18-21-15(11-25-18)9-19-7-14-8-20-10-17(14)24;/h3-6,11,14,17,19-20,24H,7-10H2,1-2H3;1H
InChIKeyWFRWDKLLLPLGDS-UHFFFAOYSA-N
XLogP2.23
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;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

N-[[1-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 47524748
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758
N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 120909382
N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120906158
N-(4-methylphenyl)-N-[4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 120968058
N-ethyl-N-[4-[[(2-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 64928081
N-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111102159
N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115587349
N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 119041182
N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-fluorophenyl)acetamide;hydrochloride
CID 120909039
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 47521918
N-[4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 55986998

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride (CID 120963160) is N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride is CC(=O)N(c1ccc(C)cc1)c1nc(CNCC2CNCC2O)cs1.Cl.
What is the InChIKey of N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is WFRWDKLLLPLGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S.ClH/c1-12-3-5-16(6-4-12)22(13(2)23)18-21-15(11-25-18)9-19-7-14-8-20-10-17(14)24;/h3-6,11,14,17,19-20,24H,7-10H2,1-2H3;1H.
What are the key properties of N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120963160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).