2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

C18H25N5O2S — CID 117084432

IUPAC2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1cccc(Nc2ncc(C(=O)NCCN3CCOCC3)s2)c1
InChIInChI=1S/C18H25N5O2S/c1-22(2)15-5-3-4-14(12-15)21-18-20-13-16(26-18)17(24)19-6-7-23-8-10-25-11-9-23/h3-5,12-13H,6-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyBVTVHCUIXHYMOW-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.01
Rot. Bonds7

About 2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 117084432) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID117084432
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1cccc(Nc2ncc(C(=O)NCCN3CCOCC3)s2)c1
InChIInChI=1S/C18H25N5O2S/c1-22(2)15-5-3-4-14(12-15)21-18-20-13-16(26-18)17(24)19-6-7-23-8-10-25-11-9-23/h3-5,12-13H,6-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyBVTVHCUIXHYMOW-UHFFFAOYSA-N
XLogP2.01
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 117092331
2-[(2-methylpyrazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117080435
N-(2,6-dimethylphenyl)-2-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 21137653
2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 49014551
N-[3-(dimethylamino)phenyl]-2-morpholin-4-ylacetamide
CID 110483400
N-[2-(4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117086083
4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207509
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
N-(2-morpholin-4-ylethyl)-4-trimethylstannylthiophene-2-carboxamide
CID 23063748
5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353960
4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97443109
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 117084432) is 2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is CN(C)c1cccc(Nc2ncc(C(=O)NCCN3CCOCC3)s2)c1.
What is the InChIKey of 2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BVTVHCUIXHYMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-22(2)15-5-3-4-14(12-15)21-18-20-13-16(26-18)17(24)19-6-7-23-8-10-25-11-9-23/h3-5,12-13H,6-11H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of 2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)anilino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117084432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).