N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide

C11H12N4OS — CID 122564815

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)C1C=CCN1
InChIInChI=1S/C11H12N4OS/c16-10(9-2-1-3-12-9)13-6-8-7-15-4-5-17-11(15)14-8/h1-2,4-5,7,9,12H,3,6H2,(H,13,16)
InChIKeyARWWHNJHVMYPKM-UHFFFAOYSA-N
MW248.31 g/mol
LogP0.54
Rot. Bonds3

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 122564815) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID122564815
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)C1C=CCN1
InChIInChI=1S/C11H12N4OS/c16-10(9-2-1-3-12-9)13-6-8-7-15-4-5-17-11(15)14-8/h1-2,4-5,7,9,12H,3,6H2,(H,13,16)
InChIKeyARWWHNJHVMYPKM-UHFFFAOYSA-N
XLogP0.54
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95727726
(3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide
CID 125168450
(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444630
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide
CID 134027884
1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116582461
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55560269
3-cyclopropyl-3-hydroxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidine-1-carboxamide
CID 154799179
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid
CID 115332454
6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70776023
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 122564815) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide is O=C(NCc1cn2ccsc2n1)C1C=CCN1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is ARWWHNJHVMYPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c16-10(9-2-1-3-12-9)13-6-8-7-15-4-5-17-11(15)14-8/h1-2,4-5,7,9,12H,3,6H2,(H,13,16).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122564815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).