N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide

C12H14N4OS — CID 138002229

IUPACN-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESCN(Cc1nccs1)C(=O)c1cn2c(n1)CCC2
InChIInChI=1S/C12H14N4OS/c1-15(8-11-13-4-6-18-11)12(17)9-7-16-5-2-3-10(16)14-9/h4,6-7H,2-3,5,8H2,1H3
InChIKeyGNHSLBZVAOTMQN-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.56
Rot. Bonds3

About N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide

N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide (PubChem CID 138002229) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
PubChem CID138002229
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESCN(Cc1nccs1)C(=O)c1cn2c(n1)CCC2
InChIInChI=1S/C12H14N4OS/c1-15(8-11-13-4-6-18-11)12(17)9-7-16-5-2-3-10(16)14-9/h4,6-7H,2-3,5,8H2,1H3
InChIKeyGNHSLBZVAOTMQN-UHFFFAOYSA-N
XLogP1.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide (CID 138002229) is N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide is CN(Cc1nccs1)C(=O)c1cn2c(n1)CCC2.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The InChIKey is GNHSLBZVAOTMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-15(8-11-13-4-6-18-11)12(17)9-7-16-5-2-3-10(16)14-9/h4,6-7H,2-3,5,8H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide is sourced from PubChem (CID 138002229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).