N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide

C13H22N4OS — CID 42604368

IUPACN-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide
SMILESCCCN1CCN(c2ncc(CCNC=O)s2)CC1
InChIInChI=1S/C13H22N4OS/c1-2-5-16-6-8-17(9-7-16)13-15-10-12(19-13)3-4-14-11-18/h10-11H,2-9H2,1H3,(H,14,18)
InChIKeyPKZXREQYQMBKFP-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.96
Rot. Bonds7

About N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide

N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide (PubChem CID 42604368) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide
PubChem CID42604368
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide
SMILESCCCN1CCN(c2ncc(CCNC=O)s2)CC1
InChIInChI=1S/C13H22N4OS/c1-2-5-16-6-8-17(9-7-16)13-15-10-12(19-13)3-4-14-11-18/h10-11H,2-9H2,1H3,(H,14,18)
InChIKeyPKZXREQYQMBKFP-UHFFFAOYSA-N
XLogP0.96
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide?
The IUPAC name of N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide (CID 42604368) is N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide?
The canonical SMILES for N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide is CCCN1CCN(c2ncc(CCNC=O)s2)CC1.
What is the InChIKey of N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide?
The InChIKey is PKZXREQYQMBKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-2-5-16-6-8-17(9-7-16)13-15-10-12(19-13)3-4-14-11-18/h10-11H,2-9H2,1H3,(H,14,18).
What are the key properties of N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide?
N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide has a molecular weight of 282.41 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide is sourced from PubChem (CID 42604368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).