N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide

C18H21N5OS — CID 139222094

IUPACN-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESCn1c(-c2csc(NC(=O)CN3CCCCC3)n2)nc2ccccc21
InChIInChI=1S/C18H21N5OS/c1-22-15-8-4-3-7-13(15)19-17(22)14-12-25-18(20-14)21-16(24)11-23-9-5-2-6-10-23/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,20,21,24)
InChIKeyMRCNJMRGUYXAHA-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.12
Rot. Bonds4

About N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide

N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide (PubChem CID 139222094) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
PubChem CID139222094
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESCn1c(-c2csc(NC(=O)CN3CCCCC3)n2)nc2ccccc21
InChIInChI=1S/C18H21N5OS/c1-22-15-8-4-3-7-13(15)19-17(22)14-12-25-18(20-14)21-16(24)11-23-9-5-2-6-10-23/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,20,21,24)
InChIKeyMRCNJMRGUYXAHA-UHFFFAOYSA-N
XLogP3.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide (CID 139222094) is N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide is Cn1c(-c2csc(NC(=O)CN3CCCCC3)n2)nc2ccccc21.
What is the InChIKey of N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The InChIKey is MRCNJMRGUYXAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-22-15-8-4-3-7-13(15)19-17(22)14-12-25-18(20-14)21-16(24)11-23-9-5-2-6-10-23/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,20,21,24).
What are the key properties of N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide has a molecular weight of 355.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 139222094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).