N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C14H11BrN4OS — CID 127041976

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN4OS/c1-9-12(19-6-7-21-14(19)17-9)13(20)18-16-8-10-2-4-11(15)5-3-10/h2-8H,1H3,(H,18,20)/b16-8+
InChIKeyPBUPLCOMEUCBDV-LZYBPNLTSA-N
MW363.24 g/mol
LogP3.23
Rot. Bonds3

About N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 127041976) has the molecular formula C14H11BrN4OS and a molecular weight of 363.24 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID127041976
Molecular FormulaC14H11BrN4OS
Molecular Weight363.24 g/mol
Exact Mass361.98
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN4OS/c1-9-12(19-6-7-21-14(19)17-9)13(20)18-16-8-10-2-4-11(15)5-3-10/h2-8H,1H3,(H,18,20)/b16-8+
InChIKeyPBUPLCOMEUCBDV-LZYBPNLTSA-N
XLogP3.23
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 127041976) is N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is PBUPLCOMEUCBDV-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11BrN4OS/c1-9-12(19-6-7-21-14(19)17-9)13(20)18-16-8-10-2-4-11(15)5-3-10/h2-8H,1H3,(H,18,20)/b16-8+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 363.24 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 127041976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).