4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide

C12H15N3OS2 — CID 120558829

IUPAC4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESCC(N)CCC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C12H15N3OS2/c1-8(13)4-5-11(16)15-12-14-9(7-18-12)10-3-2-6-17-10/h2-3,6-8H,4-5,13H2,1H3,(H,14,15,16)
InChIKeyPNLOWTIVVFTVSZ-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.94
Rot. Bonds5

About 4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide

4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide (PubChem CID 120558829) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
PubChem CID120558829
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESCC(N)CCC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C12H15N3OS2/c1-8(13)4-5-11(16)15-12-14-9(7-18-12)10-3-2-6-17-10/h2-3,6-8H,4-5,13H2,1H3,(H,14,15,16)
InChIKeyPNLOWTIVVFTVSZ-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
CID 112830370
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 111542537
3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 55381245
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 36668177
4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 108742129
4-(4-methylphenyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 41086076
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 55376540
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29456306
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 16592789
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide (CID 120558829) is 4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide is CC(N)CCC(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is PNLOWTIVVFTVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-8(13)4-5-11(16)15-12-14-9(7-18-12)10-3-2-6-17-10/h2-3,6-8H,4-5,13H2,1H3,(H,14,15,16).
What are the key properties of 4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide?
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 281.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 120558829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).