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

C13H20N4OS — CID 106233158

IUPAC4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESC#CC(CCC)NC(=O)c1sc(NCCC)nc1N
InChIInChI=1S/C13H20N4OS/c1-4-7-9(6-3)16-12(18)10-11(14)17-13(19-10)15-8-5-2/h3,9H,4-5,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXBUWWOVYJKUSDA-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.08
Rot. Bonds7

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

4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 106233158) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID106233158
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESC#CC(CCC)NC(=O)c1sc(NCCC)nc1N
InChIInChI=1S/C13H20N4OS/c1-4-7-9(6-3)16-12(18)10-11(14)17-13(19-10)15-8-5-2/h3,9H,4-5,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXBUWWOVYJKUSDA-UHFFFAOYSA-N
XLogP2.08
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide
CID 106233153
4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116673320
4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664063
4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671828
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667180
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541
4-amino-N-(4-hydroxy-2-methylbutyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671133
4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663820
4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665199
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-2-(propylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672287
4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667150

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 106233158) is 4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide is C#CC(CCC)NC(=O)c1sc(NCCC)nc1N.
What is the InChIKey of 4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is XBUWWOVYJKUSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-4-7-9(6-3)16-12(18)10-11(14)17-13(19-10)15-8-5-2/h3,9H,4-5,7-8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106233158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).