4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

C12H21N5OS2 — CID 106327698

IUPAC4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCCN2CCSCC2)s1
InChIInChI=1S/C12H21N5OS2/c1-16(2)12-15-10(13)9(20-12)11(18)14-3-4-17-5-7-19-8-6-17/h3-8,13H2,1-2H3,(H,14,18)
InChIKeyYUYCLFMDFFZPLC-UHFFFAOYSA-N
MW315.47 g/mol
LogP0.57
Rot. Bonds5

About 4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 106327698) has the molecular formula C12H21N5OS2 and a molecular weight of 315.47 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID106327698
Molecular FormulaC12H21N5OS2
Molecular Weight315.47 g/mol
Exact Mass315.12
IUPAC Name4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCCN2CCSCC2)s1
InChIInChI=1S/C12H21N5OS2/c1-16(2)12-15-10(13)9(20-12)11(18)14-3-4-17-5-7-19-8-6-17/h3-8,13H2,1-2H3,(H,14,18)
InChIKeyYUYCLFMDFFZPLC-UHFFFAOYSA-N
XLogP0.57
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116671491
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526
4-amino-2-(dimethylamino)-N-(6-hydroxyhexyl)-1,3-thiazole-5-carboxamide
CID 107855741
2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672210
4-amino-2-(dimethylamino)-N-(2-ethoxyethyl)-1,3-thiazole-5-carboxamide
CID 116670447
4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106343612
4-amino-2-(dimethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664873
4-amino-2-(dimethylamino)-N-[3-(2-methylpropylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
CID 116672545
4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide
CID 116672291
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 106327698) is 4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)NCCN2CCSCC2)s1.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YUYCLFMDFFZPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS2/c1-16(2)12-15-10(13)9(20-12)11(18)14-3-4-17-5-7-19-8-6-17/h3-8,13H2,1-2H3,(H,14,18).
What are the key properties of 4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 315.47 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106327698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).