3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide

C11H19N5OS2 — CID 106327720

IUPAC3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCCN1CCSCC1
InChIInChI=1S/C11H19N5OS2/c1-13-10(17)8-9(12)15-19-11(8)14-2-3-16-4-6-18-7-5-16/h14H,2-7H2,1H3,(H2,12,15)(H,13,17)
InChIKeyDYACUMCNWZXEPT-UHFFFAOYSA-N
MW301.44 g/mol
LogP0.55
Rot. Bonds5

About 3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide

3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide (PubChem CID 106327720) has the molecular formula C11H19N5OS2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide
PubChem CID106327720
Molecular FormulaC11H19N5OS2
Molecular Weight301.44 g/mol
Exact Mass301.10
IUPAC Name3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCCN1CCSCC1
InChIInChI=1S/C11H19N5OS2/c1-13-10(17)8-9(12)15-19-11(8)14-2-3-16-4-6-18-7-5-16/h14H,2-7H2,1H3,(H2,12,15)(H,13,17)
InChIKeyDYACUMCNWZXEPT-UHFFFAOYSA-N
XLogP0.55
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-methyl-5-(3-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carboxamide
CID 103380124
4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327709
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327712
methyl 3-amino-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carboxylate
CID 103382611
ethyl 3-amino-5-[2-(azepan-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103378467
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103378938
3-amino-N-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103380246
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
CID 103382526
3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380065
3-amino-N-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazole-4-carboxamide
CID 103380810

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide (CID 106327720) is 3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCCN1CCSCC1.
What is the InChIKey of 3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is DYACUMCNWZXEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS2/c1-13-10(17)8-9(12)15-19-11(8)14-2-3-16-4-6-18-7-5-16/h14H,2-7H2,1H3,(H2,12,15)(H,13,17).
What are the key properties of 3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 301.44 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 106327720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).