N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide

C15H14N4OS — CID 81238546

IUPACN-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C15H14N4OS/c1-2-17-11-7-8-16-9-10(11)14(20)19-15-18-12-5-3-4-6-13(12)21-15/h3-9H,2H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyXYBRGIVMYVCVEB-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.38
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 81238546) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide
PubChem CID81238546
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C15H14N4OS/c1-2-17-11-7-8-16-9-10(11)14(20)19-15-18-12-5-3-4-6-13(12)21-15/h3-9H,2H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyXYBRGIVMYVCVEB-UHFFFAOYSA-N
XLogP3.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 81237659
N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236092
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
4-(ethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81235983
N-(2,6-dimethyl-3-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81245038
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)pyridine-3-carboxamide
CID 114389358
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
4-(ethylamino)-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81233596
2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 848501
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide (CID 81238546) is N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide is CCNc1ccncc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is XYBRGIVMYVCVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-2-17-11-7-8-16-9-10(11)14(20)19-15-18-12-5-3-4-6-13(12)21-15/h3-9H,2H2,1H3,(H,16,17)(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81238546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).