4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide

C16H17N5O2S — CID 173150473

IUPAC4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cs1
InChIInChI=1S/C16H17N5O2S/c17-14(22)16-20-13(9-24-16)15-18-11-2-1-10(7-12(11)19-15)8-21-3-5-23-6-4-21/h1-2,7,9H,3-6,8H2,(H2,17,22)(H,18,19)
InChIKeyBEGMTDZJZWBVTR-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.62
Rot. Bonds4

About 4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide

4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide (PubChem CID 173150473) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide
PubChem CID173150473
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cs1
InChIInChI=1S/C16H17N5O2S/c17-14(22)16-20-13(9-24-16)15-18-11-2-1-10(7-12(11)19-15)8-21-3-5-23-6-4-21/h1-2,7,9H,3-6,8H2,(H2,17,22)(H,18,19)
InChIKeyBEGMTDZJZWBVTR-UHFFFAOYSA-N
XLogP1.62
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide (CID 173150473) is 4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide is NC(=O)c1nc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cs1.
What is the InChIKey of 4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is BEGMTDZJZWBVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c17-14(22)16-20-13(9-24-16)15-18-11-2-1-10(7-12(11)19-15)8-21-3-5-23-6-4-21/h1-2,7,9H,3-6,8H2,(H2,17,22)(H,18,19).
What are the key properties of 4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide?
4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 173150473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).