N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide

C11H19N3OS — CID 5082070

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide
SMILESCCCCCNCC(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H19N3OS/c1-3-4-5-6-12-7-10(15)14-11-13-9(2)8-16-11/h8,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyOBPHDSPWZMLEMB-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.17
Rot. Bonds7

About N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide (PubChem CID 5082070) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide
PubChem CID5082070
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide
SMILESCCCCCNCC(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H19N3OS/c1-3-4-5-6-12-7-10(15)14-11-13-9(2)8-16-11/h8,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyOBPHDSPWZMLEMB-UHFFFAOYSA-N
XLogP2.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide (CID 5082070) is N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide is CCCCCNCC(=O)Nc1nc(C)cs1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide?
The InChIKey is OBPHDSPWZMLEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-4-5-6-12-7-10(15)14-11-13-9(2)8-16-11/h8,12H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide has a molecular weight of 241.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(pentylamino)acetamide is sourced from PubChem (CID 5082070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).