N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide

C13H23N3OS — CID 106284971

IUPACN-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide
SMILESCCC(CC)C1CN=C(NCC(=O)NC2CC2)S1
InChIInChI=1S/C13H23N3OS/c1-3-9(4-2)11-7-14-13(18-11)15-8-12(17)16-10-5-6-10/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyILMKOTVOWWFAJZ-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.76
Rot. Bonds6

About N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide

N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide (PubChem CID 106284971) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide
PubChem CID106284971
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide
SMILESCCC(CC)C1CN=C(NCC(=O)NC2CC2)S1
InChIInChI=1S/C13H23N3OS/c1-3-9(4-2)11-7-14-13(18-11)15-8-12(17)16-10-5-6-10/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyILMKOTVOWWFAJZ-UHFFFAOYSA-N
XLogP1.76
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide (CID 106284971) is N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide is CCC(CC)C1CN=C(NCC(=O)NC2CC2)S1.
What is the InChIKey of N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide?
The InChIKey is ILMKOTVOWWFAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-9(4-2)11-7-14-13(18-11)15-8-12(17)16-10-5-6-10/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide?
N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide has a molecular weight of 269.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide is sourced from PubChem (CID 106284971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).