3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one

C20H26N4OS — CID 56900936

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one
SMILESNc1nc(CCC(=O)N2CCN(C3CCc4ccccc4C3)CC2)cs1
InChIInChI=1S/C20H26N4OS/c21-20-22-17(14-26-20)6-8-19(25)24-11-9-23(10-12-24)18-7-5-15-3-1-2-4-16(15)13-18/h1-4,14,18H,5-13H2,(H2,21,22)
InChIKeySWFOUFYQDWSFBA-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.36
Rot. Bonds4

About 3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one

3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 56900936) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one
PubChem CID56900936
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one
SMILESNc1nc(CCC(=O)N2CCN(C3CCc4ccccc4C3)CC2)cs1
InChIInChI=1S/C20H26N4OS/c21-20-22-17(14-26-20)6-8-19(25)24-11-9-23(10-12-24)18-7-5-15-3-1-2-4-16(15)13-18/h1-4,14,18H,5-13H2,(H2,21,22)
InChIKeySWFOUFYQDWSFBA-UHFFFAOYSA-N
XLogP2.36
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-1,3-thiazol-4-yl)-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 162626101
3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one
CID 95709460
3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110330168
N-[3-oxo-3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]methanesulfonamide
CID 95728525
(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810
3-(2-amino-1,3-thiazol-4-yl)-1-[(4S)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-hydroxyazepan-1-yl]propan-1-one
CID 124955283
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 70718281
1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 95726224
3-(2-amino-1,3-thiazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 70777538
3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one
CID 95719680
[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95718041
1-[2-oxo-2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 56883257

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one (CID 56900936) is 3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one is Nc1nc(CCC(=O)N2CCN(C3CCc4ccccc4C3)CC2)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is SWFOUFYQDWSFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c21-20-22-17(14-26-20)6-8-19(25)24-11-9-23(10-12-24)18-7-5-15-3-1-2-4-16(15)13-18/h1-4,14,18H,5-13H2,(H2,21,22).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one?
3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 370.52 g/mol, XLogP of 2.36, 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-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56900936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).