(1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide

C16H13N3OS — CID 139505454

IUPAC(1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnsc2c1)[C@@H]1CC1c1cccnc1
InChIInChI=1S/C16H13N3OS/c20-16(14-7-13(14)10-2-1-5-17-8-10)19-12-4-3-11-9-18-21-15(11)6-12/h1-6,8-9,13-14H,7H2,(H,19,20)/t13?,14-/m1/s1
InChIKeyWAGBLTFZUREDME-ARLHGKGLSA-N
MW295.37 g/mol
LogP3.43
Rot. Bonds3

About (1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide

(1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 139505454) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is (1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID139505454
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name(1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnsc2c1)[C@@H]1CC1c1cccnc1
InChIInChI=1S/C16H13N3OS/c20-16(14-7-13(14)10-2-1-5-17-8-10)19-12-4-3-11-9-18-21-15(11)6-12/h1-6,8-9,13-14H,7H2,(H,19,20)/t13?,14-/m1/s1
InChIKeyWAGBLTFZUREDME-ARLHGKGLSA-N
XLogP3.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sulfane;trans-(1S,2S)-N-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide
CID 159567121
N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 135200030
4-[2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]benzoic acid
CID 135349582
N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 123586966
4-[(1R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]-N-(pyridin-3-ylmethyl)benzamide
CID 155370478
N-isoquinolin-6-yl-2-[4-(thiophene-2-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 135199989
trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 119050510
N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 90135037
trans-(1R,2R)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 135344396
N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide
CID 146436490
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 139505454) is (1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide is O=C(Nc1ccc2cnsc2c1)[C@@H]1CC1c1cccnc1.
What is the InChIKey of (1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is WAGBLTFZUREDME-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-16(14-7-13(14)10-2-1-5-17-8-10)19-12-4-3-11-9-18-21-15(11)6-12/h1-6,8-9,13-14H,7H2,(H,19,20)/t13?,14-/m1/s1.
What are the key properties of (1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
(1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1,2-benzothiazol-6-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 139505454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).