2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide

C17H12N6O3S — CID 6256977

IUPAC2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
SMILESO=C(N/N=C\c1c(-c2ccccc2)nc2sccn12)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C17H12N6O3S/c24-13-8-11(19-16(26)20-13)15(25)22-18-9-12-14(10-4-2-1-3-5-10)21-17-23(12)6-7-27-17/h1-9H,(H,22,25)(H2,19,20,24,26)/b18-9-
InChIKeyBUGJODOSCZIFBH-NVMNQCDNSA-N
MW380.39 g/mol
LogP1.20
Rot. Bonds4

About 2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide

2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide (PubChem CID 6256977) has the molecular formula C17H12N6O3S and a molecular weight of 380.39 g/mol. Its IUPAC name is 2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
PubChem CID6256977
Molecular FormulaC17H12N6O3S
Molecular Weight380.39 g/mol
Exact Mass380.07
IUPAC Name2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
SMILESO=C(N/N=C\c1c(-c2ccccc2)nc2sccn12)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C17H12N6O3S/c24-13-8-11(19-16(26)20-13)15(25)22-18-9-12-14(10-4-2-1-3-5-10)21-17-23(12)6-7-27-17/h1-9H,(H,22,25)(H2,19,20,24,26)/b18-9-
InChIKeyBUGJODOSCZIFBH-NVMNQCDNSA-N
XLogP1.20
TPSA124.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dioxo-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
CID 2320147
N-[(E)-(2-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 6899895
4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
CID 162661101
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
CID 5468546
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate
CID 1473291
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate
CID 1473296
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3-(trifluoromethyl)benzoate
CID 1473288
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 4250673
dimethyl 2,6-dimethyl-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 10717169
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518070
2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 57395520

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide (CID 6256977) is 2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide is O=C(N/N=C\c1c(-c2ccccc2)nc2sccn12)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide?
The InChIKey is BUGJODOSCZIFBH-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H12N6O3S/c24-13-8-11(19-16(26)20-13)15(25)22-18-9-12-14(10-4-2-1-3-5-10)21-17-23(12)6-7-27-17/h1-9H,(H,22,25)(H2,19,20,24,26)/b18-9-.
What are the key properties of 2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide has a molecular weight of 380.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 6256977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).