N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide

C22H23N5O2S — CID 10364885

IUPACN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1nsc2ccccc12
InChIInChI=1S/C22H23N5O2S/c28-21(20-16-5-1-4-8-19(16)30-25-20)23-11-14-26-12-9-15(10-13-26)27-18-7-3-2-6-17(18)24-22(27)29/h1-8,15H,9-14H2,(H,23,28)(H,24,29)
InChIKeyMZSPDUGCCTYLQZ-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.01
Rot. Bonds5

About N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide (PubChem CID 10364885) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide
PubChem CID10364885
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1nsc2ccccc12
InChIInChI=1S/C22H23N5O2S/c28-21(20-16-5-1-4-8-19(16)30-25-20)23-11-14-26-12-9-15(10-13-26)27-18-7-3-2-6-17(18)24-22(27)29/h1-8,15H,9-14H2,(H,23,28)(H,24,29)
InChIKeyMZSPDUGCCTYLQZ-UHFFFAOYSA-N
XLogP3.01
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide (CID 10364885) is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide is O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1nsc2ccccc12.
What is the InChIKey of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide?
The InChIKey is MZSPDUGCCTYLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c28-21(20-16-5-1-4-8-19(16)30-25-20)23-11-14-26-12-9-15(10-13-26)27-18-7-3-2-6-17(18)24-22(27)29/h1-8,15H,9-14H2,(H,23,28)(H,24,29).
What are the key properties of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide?
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 10364885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).