2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide

C18H17N5O2S — CID 25026534

IUPAC2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide
SMILESNc1nc2ccc(CNC(=O)c3cccc(C(=O)NC4CC4)n3)cc2s1
InChIInChI=1S/C18H17N5O2S/c19-18-23-12-7-4-10(8-15(12)26-18)9-20-16(24)13-2-1-3-14(22-13)17(25)21-11-5-6-11/h1-4,7-8,11H,5-6,9H2,(H2,19,23)(H,20,24)(H,21,25)
InChIKeyNGFHNHXJBMCTEK-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.10
Rot. Bonds5

About 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide

2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide (PubChem CID 25026534) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide
PubChem CID25026534
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide
SMILESNc1nc2ccc(CNC(=O)c3cccc(C(=O)NC4CC4)n3)cc2s1
InChIInChI=1S/C18H17N5O2S/c19-18-23-12-7-4-10(8-15(12)26-18)9-20-16(24)13-2-1-3-14(22-13)17(25)21-11-5-6-11/h1-4,7-8,11H,5-6,9H2,(H2,19,23)(H,20,24)(H,21,25)
InChIKeyNGFHNHXJBMCTEK-UHFFFAOYSA-N
XLogP2.10
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide (CID 25026534) is 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide is Nc1nc2ccc(CNC(=O)c3cccc(C(=O)NC4CC4)n3)cc2s1.
What is the InChIKey of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide?
The InChIKey is NGFHNHXJBMCTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c19-18-23-12-7-4-10(8-15(12)26-18)9-20-16(24)13-2-1-3-14(22-13)17(25)21-11-5-6-11/h1-4,7-8,11H,5-6,9H2,(H2,19,23)(H,20,24)(H,21,25).
What are the key properties of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide?
2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 25026534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).