N-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine

C18H14BrN5S — CID 162648667

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
SMILESCn1c(-c2csc(N/N=C\c3ccc(Br)cc3)n2)nc2ccccc21
InChIInChI=1S/C18H14BrN5S/c1-24-16-5-3-2-4-14(16)21-17(24)15-11-25-18(22-15)23-20-10-12-6-8-13(19)9-7-12/h2-11H,1H3,(H,22,23)/b20-10-
InChIKeyBVCGMXXOJFRERB-JMIUGGIZSA-N
MW412.32 g/mol
LogP4.91
Rot. Bonds4

About N-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine

N-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 162648667) has the molecular formula C18H14BrN5S and a molecular weight of 412.32 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
PubChem CID162648667
Molecular FormulaC18H14BrN5S
Molecular Weight412.32 g/mol
Exact Mass411.02
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
SMILESCn1c(-c2csc(N/N=C\c3ccc(Br)cc3)n2)nc2ccccc21
InChIInChI=1S/C18H14BrN5S/c1-24-16-5-3-2-4-14(16)21-17(24)15-11-25-18(22-15)23-20-10-12-6-8-13(19)9-7-12/h2-11H,1H3,(H,22,23)/b20-10-
InChIKeyBVCGMXXOJFRERB-JMIUGGIZSA-N
XLogP4.91
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine (CID 162648667) is N-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine is Cn1c(-c2csc(N/N=C\c3ccc(Br)cc3)n2)nc2ccccc21.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is BVCGMXXOJFRERB-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H14BrN5S/c1-24-16-5-3-2-4-14(16)21-17(24)15-11-25-18(22-15)23-20-10-12-6-8-13(19)9-7-12/h2-11H,1H3,(H,22,23)/b20-10-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine?
N-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 412.32 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 162648667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).