3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

C11H19Cl2N3OS — CID 119861848

IUPAC3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1ncc(CNC(=O)C2(C)CCNC2)s1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8-13-5-9(16-8)6-14-10(15)11(2)3-4-12-7-11;;/h5,12H,3-4,6-7H2,1-2H3,(H,14,15);2*1H
InChIKeyBNZHMAHCHVIFKD-UHFFFAOYSA-N
MW312.27 g/mol
LogP1.91
Rot. Bonds3

About 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119861848) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119861848
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC Name3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1ncc(CNC(=O)C2(C)CCNC2)s1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8-13-5-9(16-8)6-14-10(15)11(2)3-4-12-7-11;;/h5,12H,3-4,6-7H2,1-2H3,(H,14,15);2*1H
InChIKeyBNZHMAHCHVIFKD-UHFFFAOYSA-N
XLogP1.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141539
4-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 120645205
N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119861838
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63143567
3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119716336
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944666
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119725175
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147322
4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63714175
N-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119673811
3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 55165281

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119861848) is 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is Cc1ncc(CNC(=O)C2(C)CCNC2)s1.Cl.Cl.
What is the InChIKey of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is BNZHMAHCHVIFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c1-8-13-5-9(16-8)6-14-10(15)11(2)3-4-12-7-11;;/h5,12H,3-4,6-7H2,1-2H3,(H,14,15);2*1H.
What are the key properties of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119861848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).