2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide

C14H18N4O2S — CID 60636910

IUPAC2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)NCCN3CCOCC3)cc2s1
InChIInChI=1S/C14H18N4O2S/c15-14-17-11-2-1-10(9-12(11)21-14)13(19)16-3-4-18-5-7-20-8-6-18/h1-2,9H,3-8H2,(H2,15,17)(H,16,19)
InChIKeyYLHDQLFVMJFLJL-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.94
Rot. Bonds4

About 2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 60636910) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID60636910
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)NCCN3CCOCC3)cc2s1
InChIInChI=1S/C14H18N4O2S/c15-14-17-11-2-1-10(9-12(11)21-14)13(19)16-3-4-18-5-7-20-8-6-18/h1-2,9H,3-8H2,(H2,15,17)(H,16,19)
InChIKeyYLHDQLFVMJFLJL-UHFFFAOYSA-N
XLogP0.94
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
CID 117086819
N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117088236
2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 117084994
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 65349253
2-amino-N-(2-morpholin-4-ylethyl)quinazoline-7-carboxamide
CID 143569714
2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 117092331
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 20889662
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20889779
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
2-amino-N-pent-4-enyl-1,3-benzothiazole-6-carboxamide
CID 114264869

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide (CID 60636910) is 2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)NCCN3CCOCC3)cc2s1.
What is the InChIKey of 2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is YLHDQLFVMJFLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c15-14-17-11-2-1-10(9-12(11)21-14)13(19)16-3-4-18-5-7-20-8-6-18/h1-2,9H,3-8H2,(H2,15,17)(H,16,19).
What are the key properties of 2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60636910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).