3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one

C14H24N4OS — CID 95719680

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one
SMILESCN(C)[C@@H]1CCCN(C(=O)CCc2csc(N)n2)CC1
InChIInChI=1S/C14H24N4OS/c1-17(2)12-4-3-8-18(9-7-12)13(19)6-5-11-10-20-14(15)16-11/h10,12H,3-9H2,1-2H3,(H2,15,16)/t12-/m1/s1
InChIKeyGPUSZHZJKNKFFG-GFCCVEGCSA-N
MW296.44 g/mol
LogP1.60
Rot. Bonds4

About 3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one

3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one (PubChem CID 95719680) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one
PubChem CID95719680
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one
SMILESCN(C)[C@@H]1CCCN(C(=O)CCc2csc(N)n2)CC1
InChIInChI=1S/C14H24N4OS/c1-17(2)12-4-3-8-18(9-7-12)13(19)6-5-11-10-20-14(15)16-11/h10,12H,3-9H2,1-2H3,(H2,15,16)/t12-/m1/s1
InChIKeyGPUSZHZJKNKFFG-GFCCVEGCSA-N
XLogP1.60
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one with MolForge

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Related Compounds

1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-N,N-dimethyl-4-azepanamine
CID 56905662
(3S)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-N,N-dimethylazepan-3-amine
CID 70778764
4-{3-[(1R*,6S*)-9-methyl-3,9-diazabicyclo[4.2.1]non-3-yl]-3-oxopropyl}-1,3-thiazol-2-amine
CID 133129519
3-{2-[(cyclohexylcarbamoyl)amino]-1,3-thiazol-4-yl}-N-methylpropanamide
CID 27377329
1-Cyclohexyl-3-{4-[3-oxo-3-(piperidin-1-yl)propyl]-1,3-thiazol-2-yl}urea
CID 27454274
3-(2-amino-1,3-thiazol-4-yl)-1-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propan-1-one
CID 56705603
3-(2-amino-1,3-thiazol-4-yl)-N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]propanamide
CID 56895317
N~1~-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-D-leucinamide
CID 91774625
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(ethylthio)acetamide
CID 91777362
N~1~-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N~2~-methyl-L-leucinamide
CID 91787763
3-{4-[3-(Azepan-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl}-1-cyclohexylurea
CID 27377340
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 62800152

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one (CID 95719680) is 3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one is CN(C)[C@@H]1CCCN(C(=O)CCc2csc(N)n2)CC1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one?
The InChIKey is GPUSZHZJKNKFFG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-17(2)12-4-3-8-18(9-7-12)13(19)6-5-11-10-20-14(15)16-11/h10,12H,3-9H2,1-2H3,(H2,15,16)/t12-/m1/s1.
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one?
3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one has a molecular weight of 296.44 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one is sourced from PubChem (CID 95719680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).