3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide

C11H21N5O2S — CID 103380065

IUPAC3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCCN(C)CCOC
InChIInChI=1S/C11H21N5O2S/c1-13-10(17)8-9(12)15-19-11(8)14-4-5-16(2)6-7-18-3/h14H,4-7H2,1-3H3,(H2,12,15)(H,13,17)
InChIKeyADZKVJGUYVYUPK-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.08
Rot. Bonds8

About 3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103380065) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103380065
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCCN(C)CCOC
InChIInChI=1S/C11H21N5O2S/c1-13-10(17)8-9(12)15-19-11(8)14-4-5-16(2)6-7-18-3/h14H,4-7H2,1-3H3,(H2,12,15)(H,13,17)
InChIKeyADZKVJGUYVYUPK-UHFFFAOYSA-N
XLogP0.08
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715
methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate
CID 103382318
5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361069
3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide
CID 103379210
4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103349132
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380390
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
CID 103382526
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide
CID 106327720
3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380383

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103380065) is 3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCCN(C)CCOC.
What is the InChIKey of 3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is ADZKVJGUYVYUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-13-10(17)8-9(12)15-19-11(8)14-4-5-16(2)6-7-18-3/h14H,4-7H2,1-3H3,(H2,12,15)(H,13,17).
What are the key properties of 3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).