4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide

C12H18N4OS — CID 106233153

IUPAC4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide
SMILESC#CC(CCC)NC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H18N4OS/c1-5-7-8(6-2)14-11(17)9-10(13)15-12(18-9)16(3)4/h2,8H,5,7,13H2,1,3-4H3,(H,14,17)
InChIKeyXYHHZICXEDXTTA-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.32
Rot. Bonds5

About 4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 106233153) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide
PubChem CID106233153
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide
SMILESC#CC(CCC)NC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H18N4OS/c1-5-7-8(6-2)14-11(17)9-10(13)15-12(18-9)16(3)4/h2,8H,5,7,13H2,1,3-4H3,(H,14,17)
InChIKeyXYHHZICXEDXTTA-UHFFFAOYSA-N
XLogP1.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 106233158
4-amino-2-(diethylamino)-N-pent-1-yn-3-yl-1,3-thiazole-5-carboxamide
CID 106233150
4-amino-2-[ethyl(methyl)amino]-N-hexan-3-yl-1,3-thiazole-5-carboxamide
CID 116665198
4-amino-2-(dimethylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667275
4-amino-2-(dimethylamino)-N-(1-hydroxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106358502
4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide
CID 116672954
4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide
CID 116663869
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 106347696
4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide
CID 106029167
4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
CID 116663662
4-amino-2-(dimethylamino)-N-methyl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671884
N-hex-1-yn-3-ylthiadiazole-4-carboxamide
CID 103529036

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide (CID 106233153) is 4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide is C#CC(CCC)NC(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is XYHHZICXEDXTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-5-7-8(6-2)14-11(17)9-10(13)15-12(18-9)16(3)4/h2,8H,5,7,13H2,1,3-4H3,(H,14,17).
What are the key properties of 4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106233153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).