N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide

C16H22N4OS — CID 166277331

IUPACN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
SMILESCCCc1nc(NC(=O)C2CCCc3[nH]cnc32)sc1CC
InChIInChI=1S/C16H22N4OS/c1-3-6-11-13(4-2)22-16(19-11)20-15(21)10-7-5-8-12-14(10)18-9-17-12/h9-10H,3-8H2,1-2H3,(H,17,18)(H,19,20,21)
InChIKeyRGGXGQLEABVUKH-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.44
Rot. Bonds5

About N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide

N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide (PubChem CID 166277331) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
PubChem CID166277331
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
SMILESCCCc1nc(NC(=O)C2CCCc3[nH]cnc32)sc1CC
InChIInChI=1S/C16H22N4OS/c1-3-6-11-13(4-2)22-16(19-11)20-15(21)10-7-5-8-12-14(10)18-9-17-12/h9-10H,3-8H2,1-2H3,(H,17,18)(H,19,20,21)
InChIKeyRGGXGQLEABVUKH-UHFFFAOYSA-N
XLogP3.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide (CID 166277331) is N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide is CCCc1nc(NC(=O)C2CCCc3[nH]cnc32)sc1CC.
What is the InChIKey of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
The InChIKey is RGGXGQLEABVUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-3-6-11-13(4-2)22-16(19-11)20-15(21)10-7-5-8-12-14(10)18-9-17-12/h9-10H,3-8H2,1-2H3,(H,17,18)(H,19,20,21).
What are the key properties of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 166277331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).