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

C15H28N4OS — CID 106029167

IUPAC4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide
SMILESCCCCC(CCC)NC(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C15H28N4OS/c1-5-8-10-11(9-6-2)17-14(20)12-13(16)18-15(21-12)19(4)7-3/h11H,5-10,16H2,1-4H3,(H,17,20)
InChIKeyCQASMRVBOMHQSP-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.27
Rot. Bonds9

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

4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 106029167) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide
PubChem CID106029167
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide
SMILESCCCCC(CCC)NC(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C15H28N4OS/c1-5-8-10-11(9-6-2)17-14(20)12-13(16)18-15(21-12)19(4)7-3/h11H,5-10,16H2,1-4H3,(H,17,20)
InChIKeyCQASMRVBOMHQSP-UHFFFAOYSA-N
XLogP3.27
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide (CID 106029167) is 4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide is CCCCC(CCC)NC(=O)c1sc(N(C)CC)nc1N.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CQASMRVBOMHQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-5-8-10-11(9-6-2)17-14(20)12-13(16)18-15(21-12)19(4)7-3/h11H,5-10,16H2,1-4H3,(H,17,20).
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-octan-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 312.48 g/mol, XLogP of 3.27, 9 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-octan-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106029167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).