N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide

C18H18N4O2S — CID 57412024

IUPACN-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nc(N4CCCC4)sc3c2)ccn1
InChIInChI=1S/C18H18N4O2S/c1-24-16-11-13(6-7-19-16)20-17(23)12-4-5-14-15(10-12)25-18(21-14)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20,23)
InChIKeyLZVWENFEFQXYFJ-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.55
Rot. Bonds4

About N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide

N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 57412024) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide
PubChem CID57412024
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nc(N4CCCC4)sc3c2)ccn1
InChIInChI=1S/C18H18N4O2S/c1-24-16-11-13(6-7-19-16)20-17(23)12-4-5-14-15(10-12)25-18(21-14)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20,23)
InChIKeyLZVWENFEFQXYFJ-UHFFFAOYSA-N
XLogP3.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-5-carboxamide
CID 118618806
N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxylic acid
CID 53212651
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
2-[4-[(2-methoxy-4-pyridinyl)methylcarbamoyl]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid
CID 166127568
4-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24599690
4-(pyrazol-1-ylmethyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24599697
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24599696
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 46813412

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide (CID 57412024) is N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide is COc1cc(NC(=O)c2ccc3nc(N4CCCC4)sc3c2)ccn1.
What is the InChIKey of N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is LZVWENFEFQXYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-24-16-11-13(6-7-19-16)20-17(23)12-4-5-14-15(10-12)25-18(21-14)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20,23).
What are the key properties of N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide?
N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 57412024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).