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

C13H23N3OS — CID 63296574

IUPACN-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C13H23N3OS/c1-3-9(2)16-12(17)6-7-14-13-15-8-11(18-13)10-4-5-10/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyTYSBVGGEFZDWCW-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.76
Rot. Bonds6

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

N-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 63296574) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID63296574
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C13H23N3OS/c1-3-9(2)16-12(17)6-7-14-13-15-8-11(18-13)10-4-5-10/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyTYSBVGGEFZDWCW-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-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (CID 63296574) is N-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is CCC(C)NC(=O)CCNC1=NCC(C2CC2)S1.
What is the InChIKey of N-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is TYSBVGGEFZDWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-9(2)16-12(17)6-7-14-13-15-8-11(18-13)10-4-5-10/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
N-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide 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-butan-2-yl-3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 63296574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).