N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C17H15N3OS — CID 138504775

IUPACN-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1
InChIInChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21)
InChIKeyJHDSITICBSAFEJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.02
Rot. Bonds3

About N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 138504775) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
PubChem CID138504775
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1
InChIInChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21)
InChIKeyJHDSITICBSAFEJ-UHFFFAOYSA-N
XLogP4.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpyridin-3-yl]carbamate
CID 134203923
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 7163152
N-(4-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032589
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623107
N-[Benzo[d]thiazol-2-yl]nicotinamide
CID 571618
(1s,2s)-2-{4-[(Dimethylamino)methyl]phenyl}-N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]cyclopropanecarboxamide
CID 71777716
1-Ethyl-3-(6-phenyl-1,3-benzothiazol-2-yl)urea
CID 71655663
4-(1,3-Benzothiazol-6-yl)pyridine-2,6-diamine
CID 166636171
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 972499

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 138504775) is N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1.
What is the InChIKey of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is JHDSITICBSAFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21).
What are the key properties of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 309.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138504775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).