4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine

C17H15N5OS — CID 162647467

IUPAC4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(/C=N\Nc2nc(-c3nc4ccccc4n3C)cs2)o1
InChIInChI=1S/C17H15N5OS/c1-11-7-8-12(23-11)9-18-21-17-20-14(10-24-17)16-19-13-5-3-4-6-15(13)22(16)2/h3-10H,1-2H3,(H,20,21)/b18-9-
InChIKeyKQPDTOYDAUEUTI-NVMNQCDNSA-N
MW337.41 g/mol
LogP4.04
Rot. Bonds4

About 4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine

4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 162647467) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID162647467
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(/C=N\Nc2nc(-c3nc4ccccc4n3C)cs2)o1
InChIInChI=1S/C17H15N5OS/c1-11-7-8-12(23-11)9-18-21-17-20-14(10-24-17)16-19-13-5-3-4-6-15(13)22(16)2/h3-10H,1-2H3,(H,20,21)/b18-9-
InChIKeyKQPDTOYDAUEUTI-NVMNQCDNSA-N
XLogP4.04
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_furan_A(6)', 'substructure': 'N/A'}, {'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 4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine (CID 162647467) is 4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine is Cc1ccc(/C=N\Nc2nc(-c3nc4ccccc4n3C)cs2)o1.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is KQPDTOYDAUEUTI-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-11-7-8-12(23-11)9-18-21-17-20-14(10-24-17)16-19-13-5-3-4-6-15(13)22(16)2/h3-10H,1-2H3,(H,20,21)/b18-9-.
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine?
4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 337.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 162647467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).