3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one

C11H18N2OS — CID 116556825

IUPAC3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
SMILESCCCCC(N)C(=O)Cc1nc(C)cs1
InChIInChI=1S/C11H18N2OS/c1-3-4-5-9(12)10(14)6-11-13-8(2)7-15-11/h7,9H,3-6,12H2,1-2H3
InChIKeyZFBZSJFARBKMAS-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.08
Rot. Bonds6

About 3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one

3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one (PubChem CID 116556825) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one.

Molecular Properties

Compound Name3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
PubChem CID116556825
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
SMILESCCCCC(N)C(=O)Cc1nc(C)cs1
InChIInChI=1S/C11H18N2OS/c1-3-4-5-9(12)10(14)6-11-13-8(2)7-15-11/h7,9H,3-6,12H2,1-2H3
InChIKeyZFBZSJFARBKMAS-UHFFFAOYSA-N
XLogP2.08
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
CID 63240116
3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 116708274
3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 116552853
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
(4-methyl-1,3-thiazol-2-yl)methyl pentanoate
CID 70669978
N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484487
3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
CID 116554751
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
CID 131842856
CID 131842856
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one
CID 79567146

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one?
The IUPAC name of 3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one (CID 116556825) is 3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one.
What is the SMILES notation for 3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one?
The canonical SMILES for 3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one is CCCCC(N)C(=O)Cc1nc(C)cs1.
What is the InChIKey of 3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one?
The InChIKey is ZFBZSJFARBKMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-4-5-9(12)10(14)6-11-13-8(2)7-15-11/h7,9H,3-6,12H2,1-2H3.
What are the key properties of 3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one?
3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one has a molecular weight of 226.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one is sourced from PubChem (CID 116556825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).