N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide

C18H23N5O2S — CID 131673333

IUPACN-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc2c(s1)CC(NC(=O)c1ccncc1)CC2
InChIInChI=1S/C18H23N5O2S/c1-23(2)10-9-20-17(25)18-22-14-4-3-13(11-15(14)26-18)21-16(24)12-5-7-19-8-6-12/h5-8,13H,3-4,9-11H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyVZHZCQDDUCRZQP-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.12
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide

N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide (PubChem CID 131673333) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
PubChem CID131673333
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc2c(s1)CC(NC(=O)c1ccncc1)CC2
InChIInChI=1S/C18H23N5O2S/c1-23(2)10-9-20-17(25)18-22-14-4-3-13(11-15(14)26-18)21-16(24)12-5-7-19-8-6-12/h5-8,13H,3-4,9-11H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyVZHZCQDDUCRZQP-UHFFFAOYSA-N
XLogP1.12
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203403
N-(cyclopropylmethyl)-6-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
CID 131670712
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 110867709
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 53032327
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-phenylbenzamide
CID 110867733
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-(1-methylpiperidin-1-ium-4-yl)pyridine-4-carboxamide
CID 7364464
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide
CID 110867708
N-[2-(dimethylamino)ethyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084396

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide (CID 131673333) is N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide is CN(C)CCNC(=O)c1nc2c(s1)CC(NC(=O)c1ccncc1)CC2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The InChIKey is VZHZCQDDUCRZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-23(2)10-9-20-17(25)18-22-14-4-3-13(11-15(14)26-18)21-16(24)12-5-7-19-8-6-12/h5-8,13H,3-4,9-11H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 131673333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).