N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide

C18H21N5OS — CID 90493777

IUPACN-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Cn2ccnc2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H21N5OS/c24-17(21-18-20-15-3-1-2-4-16(15)25-18)12-22-8-5-14(6-9-22)11-23-10-7-19-13-23/h1-4,7,10,13-14H,5-6,8-9,11-12H2,(H,20,21,24)
InChIKeyKEFCPZGVGJULLX-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.84
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 90493777) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID90493777
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Cn2ccnc2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H21N5OS/c24-17(21-18-20-15-3-1-2-4-16(15)25-18)12-22-8-5-14(6-9-22)11-23-10-7-19-13-23/h1-4,7,10,13-14H,5-6,8-9,11-12H2,(H,20,21,24)
InChIKeyKEFCPZGVGJULLX-UHFFFAOYSA-N
XLogP2.84
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 71901166
N-(1,3-benzothiazol-2-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 51435714
N-cyclopentyl-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493767
N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
CID 160746986
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493771
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 1437008
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 3670245
2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 79322232
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide
CID 103576642
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 90493777) is N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide is O=C(CN1CCC(Cn2ccnc2)CC1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is KEFCPZGVGJULLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c24-17(21-18-20-15-3-1-2-4-16(15)25-18)12-22-8-5-14(6-9-22)11-23-10-7-19-13-23/h1-4,7,10,13-14H,5-6,8-9,11-12H2,(H,20,21,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 355.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 90493777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).