2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride

C11H19ClN4OS — CID 119922868

IUPAC2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCc1csc(NC(=O)CN(C)C2CCNC2)n1.Cl
InChIInChI=1S/C11H18N4OS.ClH/c1-8-7-17-11(13-8)14-10(16)6-15(2)9-3-4-12-5-9;/h7,9,12H,3-6H2,1-2H3,(H,13,14,16);1H
InChIKeyJJXQOVMHKKUQHM-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.11
Rot. Bonds4

About 2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride

2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride (PubChem CID 119922868) has the molecular formula C11H19ClN4OS and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
PubChem CID119922868
Molecular FormulaC11H19ClN4OS
Molecular Weight290.82 g/mol
Exact Mass290.10
IUPAC Name2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCc1csc(NC(=O)CN(C)C2CCNC2)n1.Cl
InChIInChI=1S/C11H18N4OS.ClH/c1-8-7-17-11(13-8)14-10(16)6-15(2)9-3-4-12-5-9;/h7,9,12H,3-6H2,1-2H3,(H,13,14,16);1H
InChIKeyJJXQOVMHKKUQHM-UHFFFAOYSA-N
XLogP1.11
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 61233173
2-[methyl(pyrrolidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63301676
N-(4-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922897
2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813891
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119922827
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119915081
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 63298307
1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride
CID 87173211
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743
2-[methyl(piperidin-4-yl)amino]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 125160379
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4550149
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 116652439

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride (CID 119922868) is 2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride is Cc1csc(NC(=O)CN(C)C2CCNC2)n1.Cl.
What is the InChIKey of 2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The InChIKey is JJXQOVMHKKUQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS.ClH/c1-8-7-17-11(13-8)14-10(16)6-15(2)9-3-4-12-5-9;/h7,9,12H,3-6H2,1-2H3,(H,13,14,16);1H.
What are the key properties of 2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119922868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).