7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H17N5O2S2 — CID 126469570

IUPAC7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2sccn2c(=O)c1C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H17N5O2S2/c1-2-23-13-11(14(22)20-8-9-24-15(20)18-13)12(21)17-4-3-6-19-7-5-16-10-19/h5,7-10H,2-4,6H2,1H3,(H,17,21)
InChIKeyHWHVSJVUEFJRNC-UHFFFAOYSA-N
MW363.47 g/mol
LogP1.88
Rot. Bonds7

About 7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469570) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is 7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469570
Molecular FormulaC15H17N5O2S2
Molecular Weight363.47 g/mol
Exact Mass363.08
IUPAC Name7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2sccn2c(=O)c1C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H17N5O2S2/c1-2-23-13-11(14(22)20-8-9-24-15(20)18-13)12(21)17-4-3-6-19-7-5-16-10-19/h5,7-10H,2-4,6H2,1H3,(H,17,21)
InChIKeyHWHVSJVUEFJRNC-UHFFFAOYSA-N
XLogP1.88
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56892018
7-ethylsulfanyl-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469467
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
N-(3-imidazol-1-ylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 86911998
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135938794
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491

Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469570) is 7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCSc1nc2sccn2c(=O)c1C(=O)NCCCn1ccnc1.
What is the InChIKey of 7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is HWHVSJVUEFJRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c1-2-23-13-11(14(22)20-8-9-24-15(20)18-13)12(21)17-4-3-6-19-7-5-16-10-19/h5,7-10H,2-4,6H2,1H3,(H,17,21).
What are the key properties of 7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).