4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide

C12H18N4OS — CID 116672954

IUPAC4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide
SMILESC#CCC(C)NC(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C12H18N4OS/c1-5-7-8(3)14-11(17)9-10(13)15-12(18-9)16(4)6-2/h1,8H,6-7,13H2,2-4H3,(H,14,17)
InChIKeyHCXXDJDOSHSNRM-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.32
Rot. Bonds5

About 4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide

4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 116672954) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide
PubChem CID116672954
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide
SMILESC#CCC(C)NC(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C12H18N4OS/c1-5-7-8(3)14-11(17)9-10(13)15-12(18-9)16(4)6-2/h1,8H,6-7,13H2,2-4H3,(H,14,17)
InChIKeyHCXXDJDOSHSNRM-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-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
CID 116663662
4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663725
4-amino-2-[ethyl(methyl)amino]-N-hexan-3-yl-1,3-thiazole-5-carboxamide
CID 116665198
4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide
CID 106029167
4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116673603
4-amino-2-[ethyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116663849
4-amino-2-(dimethylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667275
4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide
CID 106233153
4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide
CID 116672685
4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 103466928
4-amino-N-(2-ethoxypropyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116672975
4-amino-2-[ethyl(methyl)amino]-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667475

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide (CID 116672954) is 4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide is C#CCC(C)NC(=O)c1sc(N(C)CC)nc1N.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HCXXDJDOSHSNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-5-7-8(3)14-11(17)9-10(13)15-12(18-9)16(4)6-2/h1,8H,6-7,13H2,2-4H3,(H,14,17).
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-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-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).