N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide

C18H15N5O2S — CID 126737390

IUPACN-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide
SMILESNc1cccc(-n2c(NC(=O)c3ccns3)nc3cc(CO)ccc32)c1
InChIInChI=1S/C18H15N5O2S/c19-12-2-1-3-13(9-12)23-15-5-4-11(10-24)8-14(15)21-18(23)22-17(25)16-6-7-20-26-16/h1-9,24H,10,19H2,(H,21,22,25)
InChIKeyLNTYQFFFUDDPCX-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.81
Rot. Bonds4

About N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide

N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide (PubChem CID 126737390) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide
PubChem CID126737390
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide
SMILESNc1cccc(-n2c(NC(=O)c3ccns3)nc3cc(CO)ccc32)c1
InChIInChI=1S/C18H15N5O2S/c19-12-2-1-3-13(9-12)23-15-5-4-11(10-24)8-14(15)21-18(23)22-17(25)16-6-7-20-26-16/h1-9,24H,10,19H2,(H,21,22,25)
InChIKeyLNTYQFFFUDDPCX-UHFFFAOYSA-N
XLogP2.81
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide (CID 126737390) is N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide is Nc1cccc(-n2c(NC(=O)c3ccns3)nc3cc(CO)ccc32)c1.
What is the InChIKey of N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide?
The InChIKey is LNTYQFFFUDDPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c19-12-2-1-3-13(9-12)23-15-5-4-11(10-24)8-14(15)21-18(23)22-17(25)16-6-7-20-26-16/h1-9,24H,10,19H2,(H,21,22,25).
What are the key properties of N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide?
N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)-5-(hydroxymethyl)benzimidazol-2-yl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 126737390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).