N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide

C10H15N3OS — CID 115592952

IUPACN-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCN(Cc1cscn1)C(=O)N1CCCC1
InChIInChI=1S/C10H15N3OS/c1-12(6-9-7-15-8-11-9)10(14)13-4-2-3-5-13/h7-8H,2-6H2,1H3
InChIKeyDIDLVNPIAOCVAI-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.79
Rot. Bonds2

About N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide

N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 115592952) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID115592952
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCN(Cc1cscn1)C(=O)N1CCCC1
InChIInChI=1S/C10H15N3OS/c1-12(6-9-7-15-8-11-9)10(14)13-4-2-3-5-13/h7-8H,2-6H2,1H3
InChIKeyDIDLVNPIAOCVAI-UHFFFAOYSA-N
XLogP1.79
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55012085
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide
CID 78973053
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 115684547
2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 79801758
N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 55164319
2,2,3,3,3-pentafluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 114038182

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide (CID 115592952) is N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide is CN(Cc1cscn1)C(=O)N1CCCC1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is DIDLVNPIAOCVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-12(6-9-7-15-8-11-9)10(14)13-4-2-3-5-13/h7-8H,2-6H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide?
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115592952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).