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

C9H16N4OS2 — CID 116666526

IUPAC4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
SMILESCSCCNC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C9H16N4OS2/c1-13(2)9-12-7(10)6(16-9)8(14)11-4-5-15-3/h4-5,10H2,1-3H3,(H,11,14)
InChIKeyMVEAQPJJNOYRNC-UHFFFAOYSA-N
MW260.39 g/mol
LogP0.88
Rot. Bonds5

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

4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116666526) has the molecular formula C9H16N4OS2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116666526
Molecular FormulaC9H16N4OS2
Molecular Weight260.39 g/mol
Exact Mass260.08
IUPAC Name4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
SMILESCSCCNC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C9H16N4OS2/c1-13(2)9-12-7(10)6(16-9)8(14)11-4-5-15-3/h4-5,10H2,1-3H3,(H,11,14)
InChIKeyMVEAQPJJNOYRNC-UHFFFAOYSA-N
XLogP0.88
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672210
4-amino-2-(dimethylamino)-N-(6-hydroxyhexyl)-1,3-thiazole-5-carboxamide
CID 107855741
4-amino-2-(dimethylamino)-N-(2-ethoxyethyl)-1,3-thiazole-5-carboxamide
CID 116670447
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
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-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666516
4-amino-2-(dimethylamino)-N-[3-(2-methylpropylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
CID 116672545
4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 106327698
4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672594
4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668777

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide (CID 116666526) is 4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide is CSCCNC(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MVEAQPJJNOYRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS2/c1-13(2)9-12-7(10)6(16-9)8(14)11-4-5-15-3/h4-5,10H2,1-3H3,(H,11,14).
What are the key properties of 4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 260.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).