6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide

C13H23N3OS — CID 114127580

IUPAC6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide
SMILESCCC(CCN)CCC(=O)NCc1ncc(C)s1
InChIInChI=1S/C13H23N3OS/c1-3-11(6-7-14)4-5-12(17)15-9-13-16-8-10(2)18-13/h8,11H,3-7,9,14H2,1-2H3,(H,15,17)
InChIKeyNHRGQUFUSFQFKK-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.22
Rot. Bonds8

About 6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide

6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide (PubChem CID 114127580) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide
PubChem CID114127580
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide
SMILESCCC(CCN)CCC(=O)NCc1ncc(C)s1
InChIInChI=1S/C13H23N3OS/c1-3-11(6-7-14)4-5-12(17)15-9-13-16-8-10(2)18-13/h8,11H,3-7,9,14H2,1-2H3,(H,15,17)
InChIKeyNHRGQUFUSFQFKK-UHFFFAOYSA-N
XLogP2.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814822
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide
CID 106047363
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814782
2-[[(6-amino-4-ethylhexanoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324704
3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 110738979
1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 103697870
2-methyl-3-(methylamino)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 103814807
5-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 114128702
1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 130678537
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814757

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide?
The IUPAC name of 6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide (CID 114127580) is 6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide.
What is the SMILES notation for 6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide?
The canonical SMILES for 6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide is CCC(CCN)CCC(=O)NCc1ncc(C)s1.
What is the InChIKey of 6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide?
The InChIKey is NHRGQUFUSFQFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-11(6-7-14)4-5-12(17)15-9-13-16-8-10(2)18-13/h8,11H,3-7,9,14H2,1-2H3,(H,15,17).
What are the key properties of 6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide?
6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide has a molecular weight of 269.41 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide is sourced from PubChem (CID 114127580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).