N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide

C18H15N5OS — CID 97226668

IUPACN-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide
SMILESC[C@@H](c1ccccc1)n1c(NC(=O)c2cnns2)nc2ccccc21
InChIInChI=1S/C18H15N5OS/c1-12(13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20-18(23)21-17(24)16-11-19-22-25-16/h2-12H,1H3,(H,20,21,24)/t12-/m0/s1
InChIKeyLLJXYXMTXUCQKL-LBPRGKRZSA-N
MW349.42 g/mol
LogP3.75
Rot. Bonds4

About N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide

N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide (PubChem CID 97226668) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide
PubChem CID97226668
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC NameN-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide
SMILESC[C@@H](c1ccccc1)n1c(NC(=O)c2cnns2)nc2ccccc21
InChIInChI=1S/C18H15N5OS/c1-12(13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20-18(23)21-17(24)16-11-19-22-25-16/h2-12H,1H3,(H,20,21,24)/t12-/m0/s1
InChIKeyLLJXYXMTXUCQKL-LBPRGKRZSA-N
XLogP3.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide (CID 97226668) is N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide is C[C@@H](c1ccccc1)n1c(NC(=O)c2cnns2)nc2ccccc21.
What is the InChIKey of N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide?
The InChIKey is LLJXYXMTXUCQKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-12(13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20-18(23)21-17(24)16-11-19-22-25-16/h2-12H,1H3,(H,20,21,24)/t12-/m0/s1.
What are the key properties of N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide?
N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 97226668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).