N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C15H18N4O2S — CID 86911127

IUPACN-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCCNC(=O)CNC(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C15H18N4O2S/c1-2-5-17-14(21)9-18-13(20)7-12-10-22-15(19-12)11-4-3-6-16-8-11/h3-4,6,8,10H,2,5,7,9H2,1H3,(H,17,21)(H,18,20)
InChIKeyFRFMVNLNSNXPDO-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.39
Rot. Bonds7

About N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 86911127) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID86911127
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCCNC(=O)CNC(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C15H18N4O2S/c1-2-5-17-14(21)9-18-13(20)7-12-10-22-15(19-12)11-4-3-6-16-8-11/h3-4,6,8,10H,2,5,7,9H2,1H3,(H,17,21)(H,18,20)
InChIKeyFRFMVNLNSNXPDO-UHFFFAOYSA-N
XLogP1.39
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-butoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134015193
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386
N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
CID 60513365
(2S)-4-methyl-2-[[2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694359
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 39084461
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
2-[2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242469
N-[2-(benzenesulfonamido)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78847266
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55720543
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55451565
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 86911127) is N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CCCNC(=O)CNC(=O)Cc1csc(-c2cccnc2)n1.
What is the InChIKey of N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FRFMVNLNSNXPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-2-5-17-14(21)9-18-13(20)7-12-10-22-15(19-12)11-4-3-6-16-8-11/h3-4,6,8,10H,2,5,7,9H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 318.40 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 86911127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).