N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide

C16H14ClN3O2S — CID 52687935

IUPACN-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)Nc2nc3ccccc3s2)cc1Cl
InChIInChI=1S/C16H14ClN3O2S/c1-9(2)22-15-11(17)7-10(8-18-15)14(21)20-16-19-12-5-3-4-6-13(12)23-16/h3-9H,1-2H3,(H,19,20,21)
InChIKeyBZMOILDGYCTSTI-UHFFFAOYSA-N
MW347.83 g/mol
LogP4.38
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 52687935) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID52687935
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)Nc2nc3ccccc3s2)cc1Cl
InChIInChI=1S/C16H14ClN3O2S/c1-9(2)22-15-11(17)7-10(8-18-15)14(21)20-16-19-12-5-3-4-6-13(12)23-16/h3-9H,1-2H3,(H,19,20,21)
InChIKeyBZMOILDGYCTSTI-UHFFFAOYSA-N
XLogP4.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 833754
5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47293511
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486
N-(1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
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CID 139796630
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
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CID 35294982
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374
N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 4233786
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
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N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
CID 113264920

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide (CID 52687935) is N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ncc(C(=O)Nc2nc3ccccc3s2)cc1Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is BZMOILDGYCTSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-9(2)22-15-11(17)7-10(8-18-15)14(21)20-16-19-12-5-3-4-6-13(12)23-16/h3-9H,1-2H3,(H,19,20,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 52687935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).