N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

C12H21Cl2N3OS — CID 119876575

IUPACN,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1ncsc1CN(C)C(=O)C1(C)CCNC1.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-9-10(17-8-14-9)6-15(3)11(16)12(2)4-5-13-7-12;;/h8,13H,4-7H2,1-3H3;2*1H
InChIKeyVFDUIXYMUIDPHN-UHFFFAOYSA-N
MW326.29 g/mol
LogP2.25
Rot. Bonds3

About N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119876575) has the molecular formula C12H21Cl2N3OS and a molecular weight of 326.29 g/mol. Its IUPAC name is N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119876575
Molecular FormulaC12H21Cl2N3OS
Molecular Weight326.29 g/mol
Exact Mass325.08
IUPAC NameN,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1ncsc1CN(C)C(=O)C1(C)CCNC1.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-9-10(17-8-14-9)6-15(3)11(16)12(2)4-5-13-7-12;;/h8,13H,4-7H2,1-3H3;2*1H
InChIKeyVFDUIXYMUIDPHN-UHFFFAOYSA-N
XLogP2.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 55164319
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxolane-3-carboxamide
CID 64891819
2-[1-[[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81156096
1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 115442195
2-(azetidin-3-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 64610217
N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 119702993
N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143386
(2R)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124557647
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide
CID 63836900
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63281046

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119876575) is N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is Cc1ncsc1CN(C)C(=O)C1(C)CCNC1.Cl.Cl.
What is the InChIKey of N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is VFDUIXYMUIDPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.2ClH/c1-9-10(17-8-14-9)6-15(3)11(16)12(2)4-5-13-7-12;;/h8,13H,4-7H2,1-3H3;2*1H.
What are the key properties of N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 326.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119876575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).