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

C13H25N3OS — CID 106285105

IUPACN,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCCC(CC)C1CN=C(NCCC(=O)N(C)C)S1
InChIInChI=1S/C13H25N3OS/c1-5-10(6-2)11-9-15-13(18-11)14-8-7-12(17)16(3)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyWSJDAPWCXBYGCI-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.96
Rot. Bonds6

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

N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 106285105) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID106285105
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCCC(CC)C1CN=C(NCCC(=O)N(C)C)S1
InChIInChI=1S/C13H25N3OS/c1-5-10(6-2)11-9-15-13(18-11)14-8-7-12(17)16(3)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyWSJDAPWCXBYGCI-UHFFFAOYSA-N
XLogP1.96
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (CID 106285105) is N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is CCC(CC)C1CN=C(NCCC(=O)N(C)C)S1.
What is the InChIKey of N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is WSJDAPWCXBYGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-10(6-2)11-9-15-13(18-11)14-8-7-12(17)16(3)4/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 271.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 106285105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).