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

C14H26N4OS — CID 116663662

IUPAC4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCCCC(C)NC(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C14H26N4OS/c1-5-7-8-9-10(3)16-13(19)11-12(15)17-14(20-11)18(4)6-2/h10H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyHPFORRINZOFZMS-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.88
Rot. Bonds8

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

4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 116663662) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID116663662
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCCCC(C)NC(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C14H26N4OS/c1-5-7-8-9-10(3)16-13(19)11-12(15)17-14(20-11)18(4)6-2/h10H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyHPFORRINZOFZMS-UHFFFAOYSA-N
XLogP2.88
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide
CID 116672954
4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide
CID 106029167
4-amino-2-[ethyl(methyl)amino]-N-hexan-3-yl-1,3-thiazole-5-carboxamide
CID 116665198
4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663725
4-amino-N-(4-amino-4-oxobutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116673603
4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide
CID 116663846
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-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671824
4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide
CID 116672685
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671207
4-amino-N-(2-ethoxypropyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116672975

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide (CID 116663662) is 4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide is CCCCCC(C)NC(=O)c1sc(N(C)CC)nc1N.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HPFORRINZOFZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-5-7-8-9-10(3)16-13(19)11-12(15)17-14(20-11)18(4)6-2/h10H,5-9,15H2,1-4H3,(H,16,19).
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 298.46 g/mol, XLogP of 2.88, 8 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-heptan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).