4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide

C13H20N4OS — CID 116666618

IUPAC4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide
SMILESC#CC(C)(C)NC(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C13H20N4OS/c1-6-13(4,5)16-11(18)9-10(14)15-12(19-9)17(7-2)8-3/h1H,7-8,14H2,2-5H3,(H,16,18)
InChIKeyCSFLUSNMGVJFPA-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.71
Rot. Bonds5

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

4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116666618) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116666618
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide
SMILESC#CC(C)(C)NC(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C13H20N4OS/c1-6-13(4,5)16-11(18)9-10(14)15-12(19-9)17(7-2)8-3/h1H,7-8,14H2,2-5H3,(H,16,18)
InChIKeyCSFLUSNMGVJFPA-UHFFFAOYSA-N
XLogP1.71
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.71
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-2-(diethylamino)-N-pent-1-yn-3-yl-1,3-thiazole-5-carboxamide
CID 106233150
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 106280963
4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide
CID 106215829
4-amino-2-[ethyl(methyl)amino]-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667475
4-amino-2-(diethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116669748
4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
CID 116673517
4-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116672001
4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116672638
4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666874
4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116673701
4-amino-2-(diethylamino)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 116670891
4-amino-2-(diethylamino)-N-(1-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116672673

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide (CID 116666618) is 4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide is C#CC(C)(C)NC(=O)c1sc(N(CC)CC)nc1N.
What is the InChIKey of 4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CSFLUSNMGVJFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-6-13(4,5)16-11(18)9-10(14)15-12(19-9)17(7-2)8-3/h1H,7-8,14H2,2-5H3,(H,16,18).
What are the key properties of 4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).