N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide

C19H21N5O2S — CID 59671498

IUPACN-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
SMILESCc1nc2cc(NC(=O)N3CCNCC3COc3cccnc3)ccc2s1
InChIInChI=1S/C19H21N5O2S/c1-13-22-17-9-14(4-5-18(17)27-13)23-19(25)24-8-7-21-10-15(24)12-26-16-3-2-6-20-11-16/h2-6,9,11,15,21H,7-8,10,12H2,1H3,(H,23,25)
InChIKeyQOCQCNBUXVQDSE-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.88
Rot. Bonds4

About N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide

N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide (PubChem CID 59671498) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
PubChem CID59671498
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
SMILESCc1nc2cc(NC(=O)N3CCNCC3COc3cccnc3)ccc2s1
InChIInChI=1S/C19H21N5O2S/c1-13-22-17-9-14(4-5-18(17)27-13)23-19(25)24-8-7-21-10-15(24)12-26-16-3-2-6-20-11-16/h2-6,9,11,15,21H,7-8,10,12H2,1H3,(H,23,25)
InChIKeyQOCQCNBUXVQDSE-UHFFFAOYSA-N
XLogP2.88
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643565
N-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796493
N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643580
N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636
N-(4-benzoylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797042
N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878232
N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796663
2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride
CID 66797414
5-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66797139
2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
CID 66797340

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide (CID 59671498) is N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide is Cc1nc2cc(NC(=O)N3CCNCC3COc3cccnc3)ccc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
The InChIKey is QOCQCNBUXVQDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-13-22-17-9-14(4-5-18(17)27-13)23-19(25)24-8-7-21-10-15(24)12-26-16-3-2-6-20-11-16/h2-6,9,11,15,21H,7-8,10,12H2,1H3,(H,23,25).
What are the key properties of N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide?
N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide is sourced from PubChem (CID 59671498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).