N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

C13H18N4OS — CID 86919342

IUPACN-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESC#CCNC(=O)C(C)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H18N4OS/c1-3-4-14-12(18)11(2)16-6-8-17(9-7-16)13-15-5-10-19-13/h1,5,10-11H,4,6-9H2,2H3,(H,14,18)
InChIKeyMZLFVIUYQFANDO-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.40
Rot. Bonds4

About N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 86919342) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
PubChem CID86919342
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESC#CCNC(=O)C(C)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H18N4OS/c1-3-4-14-12(18)11(2)16-6-8-17(9-7-16)13-15-5-10-19-13/h1,5,10-11H,4,6-9H2,2H3,(H,14,18)
InChIKeyMZLFVIUYQFANDO-UHFFFAOYSA-N
XLogP0.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 30138516
(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 94796371
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 51311966
N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 55499702
(2S)-N-(2-chlorophenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 52507095
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid
CID 83042107
(2R)-N-(2,4-dimethylphenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 52503740
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
(2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129943
N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
CID 24645578

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (CID 86919342) is N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is C#CCNC(=O)C(C)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is MZLFVIUYQFANDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-4-14-12(18)11(2)16-6-8-17(9-7-16)13-15-5-10-19-13/h1,5,10-11H,4,6-9H2,2H3,(H,14,18).
What are the key properties of N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 278.38 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 86919342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).