N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C12H13N5OS — CID 56892018

IUPACN-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cn2ccsc2n1
InChIInChI=1S/C12H13N5OS/c18-11(10-8-17-6-7-19-12(17)15-10)14-2-1-4-16-5-3-13-9-16/h3,5-9H,1-2,4H2,(H,14,18)
InChIKeyDHKXAZMNLMZFKD-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.41
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 56892018) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID56892018
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC NameN-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cn2ccsc2n1
InChIInChI=1S/C12H13N5OS/c18-11(10-8-17-6-7-19-12(17)15-10)14-2-1-4-16-5-3-13-9-16/h3,5-9H,1-2,4H2,(H,14,18)
InChIKeyDHKXAZMNLMZFKD-UHFFFAOYSA-N
XLogP1.41
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
N-(3-imidazol-1-ylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 86911998
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62248208
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469570
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 56892018) is N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCCCn1ccnc1)c1cn2ccsc2n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is DHKXAZMNLMZFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c18-11(10-8-17-6-7-19-12(17)15-10)14-2-1-4-16-5-3-13-9-16/h3,5-9H,1-2,4H2,(H,14,18).
What are the key properties of N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 275.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 56892018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).